4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide

C11H17ClN4O2 — CID 44823734

IUPAC4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)NCCNC(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-4-8(17)13-5-6-14-11(18)10-9(12)7(2)16(3)15-10/h4-6H2,1-3H3,(H,13,17)(H,14,18)
InChIKeySJBPZXNYJQACIQ-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.64
Rot. Bonds5

About 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 44823734) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
PubChem CID44823734
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)NCCNC(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-4-8(17)13-5-6-14-11(18)10-9(12)7(2)16(3)15-10/h4-6H2,1-3H3,(H,13,17)(H,14,18)
InChIKeySJBPZXNYJQACIQ-UHFFFAOYSA-N
XLogP0.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470867
2-[4-[2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500814
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
CID 4770956
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 122107248
1-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 122108610
4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide
CID 125165236
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138000422
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 122108747
4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19266677
1-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 122108101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide (CID 44823734) is 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide is CCC(=O)NCCNC(=O)c1nn(C)c(C)c1Cl.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is SJBPZXNYJQACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-4-8(17)13-5-6-14-11(18)10-9(12)7(2)16(3)15-10/h4-6H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 44823734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).