carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine

C36H36Cl2N8O3 — CID 163734414

IUPACcarbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
SMILESCCc1ccc(Cl)cc1.Nc1ccn(Cc2ccncc2)n1.O=C(CCc1ccc(Cl)cc1)Nc1ccn(Cc2ccncc2)n1.O=C=O
InChIInChI=1S/C18H17ClN4O.C9H10N4.C8H9Cl.CO2/c19-16-4-1-14(2-5-16)3-6-18(24)21-17-9-12-23(22-17)13-15-7-10-20-11-8-15;10-9-3-6-13(12-9)7-8-1-4-11-5-2-8;1-2-7-3-5-8(9)6-4-7;2-1-3/h1-2,4-5,7-12H,3,6,13H2,(H,21,22,24);1-6H,7H2,(H2,10,12);3-6H,2H2,1H3;
InChIKeyLCIOEAIQMUTVQP-UHFFFAOYSA-N
MW699.64 g/mol
LogP6.78
Rot. Bonds9

About carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine

carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine (PubChem CID 163734414) has the molecular formula C36H36Cl2N8O3 and a molecular weight of 699.64 g/mol. Its IUPAC name is carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Namecarbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
PubChem CID163734414
Molecular FormulaC36H36Cl2N8O3
Molecular Weight699.64 g/mol
Exact Mass698.23
IUPAC Namecarbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
SMILESCCc1ccc(Cl)cc1.Nc1ccn(Cc2ccncc2)n1.O=C(CCc1ccc(Cl)cc1)Nc1ccn(Cc2ccncc2)n1.O=C=O
InChIInChI=1S/C18H17ClN4O.C9H10N4.C8H9Cl.CO2/c19-16-4-1-14(2-5-16)3-6-18(24)21-17-9-12-23(22-17)13-15-7-10-20-11-8-15;10-9-3-6-13(12-9)7-8-1-4-11-5-2-8;1-2-7-3-5-8(9)6-4-7;2-1-3/h1-2,4-5,7-12H,3,6,13H2,(H,21,22,24);1-6H,7H2,(H2,10,12);3-6H,2H2,1H3;
InChIKeyLCIOEAIQMUTVQP-UHFFFAOYSA-N
XLogP6.78
TPSA150.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.64
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 47002773
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
1-(2,5-dichlorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 51130131
N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide
CID 126420955
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 19475543

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine (CID 163734414) is carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine is CCc1ccc(Cl)cc1.Nc1ccn(Cc2ccncc2)n1.O=C(CCc1ccc(Cl)cc1)Nc1ccn(Cc2ccncc2)n1.O=C=O.
What is the InChIKey of carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine?
The InChIKey is LCIOEAIQMUTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O.C9H10N4.C8H9Cl.CO2/c19-16-4-1-14(2-5-16)3-6-18(24)21-17-9-12-23(22-17)13-15-7-10-20-11-8-15;10-9-3-6-13(12-9)7-8-1-4-11-5-2-8;1-2-7-3-5-8(9)6-4-7;2-1-3/h1-2,4-5,7-12H,3,6,13H2,(H,21,22,24);1-6H,7H2,(H2,10,12);3-6H,2H2,1H3;.
What are the key properties of carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine?
carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine has a molecular weight of 699.64 g/mol, XLogP of 6.78, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 163734414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).