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

C11H17ClN4O2 — CID 51312965

IUPAC5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H17ClN4O2/c1-6(2)14-8(17)5-13-11(18)9-7(3)15-16(4)10(9)12/h6H,5H2,1-4H3,(H,13,18)(H,14,17)
InChIKeyDTNUOCKEFFGNEJ-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.64
Rot. Bonds4

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

5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 51312965) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
PubChem CID51312965
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H17ClN4O2/c1-6(2)14-8(17)5-13-11(18)9-7(3)15-16(4)10(9)12/h6H,5H2,1-4H3,(H,13,18)(H,14,17)
InChIKeyDTNUOCKEFFGNEJ-UHFFFAOYSA-N
XLogP0.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide
CID 47080414
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 24610858
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 3741847
2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-cyclobutylpropanoic acid
CID 166317992
5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 24610680
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 47182890
methyl (2S)-2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 40567651
5-chloro-1,3-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 46593410

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide (CID 51312965) is 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCC(=O)NC(C)C.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is DTNUOCKEFFGNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-6(2)14-8(17)5-13-11(18)9-7(3)15-16(4)10(9)12/h6H,5H2,1-4H3,(H,13,18)(H,14,17).
What are the key properties of 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51312965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).