4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

C16H23ClN6O2 — CID 19538045

IUPAC4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C)c(Cl)c2C)c1C(=O)N(C)C
InChIInChI=1S/C16H23ClN6O2/c1-7-22-14(16(25)21(5)6)12(8-18-22)19-15(24)11(4)23-10(3)13(17)9(2)20-23/h8,11H,7H2,1-6H3,(H,19,24)
InChIKeyAXJXTVKGKMPDPV-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.27
Rot. Bonds5

About 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19538045) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19538045
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC Name4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C)c(Cl)c2C)c1C(=O)N(C)C
InChIInChI=1S/C16H23ClN6O2/c1-7-22-14(16(25)21(5)6)12(8-18-22)19-15(24)11(4)23-10(3)13(17)9(2)20-23/h8,11H,7H2,1-6H3,(H,19,24)
InChIKeyAXJXTVKGKMPDPV-UHFFFAOYSA-N
XLogP2.27
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477126
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
CID 19538290
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]butanamide
CID 19549676
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19537773
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19449734
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19537993
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
CID 19328178
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 19538045) is 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)C(C)n2nc(C)c(Cl)c2C)c1C(=O)N(C)C.
What is the InChIKey of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is AXJXTVKGKMPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O2/c1-7-22-14(16(25)21(5)6)12(8-18-22)19-15(24)11(4)23-10(3)13(17)9(2)20-23/h8,11H,7H2,1-6H3,(H,19,24).
What are the key properties of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19538045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).