4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide

C10H16ClN3O — CID 4770956

IUPAC4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-5-14(6-2)10(15)9-8(11)7(3)13(4)12-9/h5-6H2,1-4H3
InChIKeyLPIVFWNXICYUAN-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.86
Rot. Bonds3

About 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 4770956) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID4770956
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-5-14(6-2)10(15)9-8(11)7(3)13(4)12-9/h5-6H2,1-4H3
InChIKeyLPIVFWNXICYUAN-UHFFFAOYSA-N
XLogP1.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
1-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 122108610
2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 122107248
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 70772303
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 122108747
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide (CID 4770956) is 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide is CCN(CC)C(=O)c1nn(C)c(C)c1Cl.
What is the InChIKey of 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is LPIVFWNXICYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-5-14(6-2)10(15)9-8(11)7(3)13(4)12-9/h5-6H2,1-4H3.
What are the key properties of 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4770956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).