N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

C20H19ClN4O2 — CID 46589750

IUPACN-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(C(N)=O)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-2-18-17(12-24-25(18)16-5-3-4-15(21)10-16)20(27)23-11-13-6-8-14(9-7-13)19(22)26/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,23,27)
InChIKeyQVMDHIFBGBHGDX-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.12
Rot. Bonds6

About N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide

N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 46589750) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
PubChem CID46589750
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(C(N)=O)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-2-18-17(12-24-25(18)16-5-3-4-15(21)10-16)20(27)23-11-13-6-8-14(9-7-13)19(22)26/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,23,27)
InChIKeyQVMDHIFBGBHGDX-UHFFFAOYSA-N
XLogP3.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 32637853
1-(3-chlorophenyl)-5-ethyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55814229
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340
1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55596234
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852602

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide (CID 46589750) is N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(C(N)=O)cc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is QVMDHIFBGBHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-18-17(12-24-25(18)16-5-3-4-15(21)10-16)20(27)23-11-13-6-8-14(9-7-13)19(22)26/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide?
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 46589750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).