1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide

C11H17N3O2 — CID 64991676

IUPAC1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1cnn(C)c1C
InChIInChI=1S/C11H17N3O2/c1-5-10(15)7(2)13-11(16)9-6-12-14(4)8(9)3/h6-7H,5H2,1-4H3,(H,13,16)
InChIKeyPXLGQFBAWAJEHE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.83
Rot. Bonds4

About 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide

1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide (PubChem CID 64991676) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
PubChem CID64991676
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1cnn(C)c1C
InChIInChI=1S/C11H17N3O2/c1-5-10(15)7(2)13-11(16)9-6-12-14(4)8(9)3/h6-7H,5H2,1-4H3,(H,13,16)
InChIKeyPXLGQFBAWAJEHE-UHFFFAOYSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
ethyl (2R)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate
CID 19473969
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
CID 79584024
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide (CID 64991676) is 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide is CCC(=O)C(C)NC(=O)c1cnn(C)c1C.
What is the InChIKey of 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide?
The InChIKey is PXLGQFBAWAJEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-10(15)7(2)13-11(16)9-6-12-14(4)8(9)3/h6-7H,5H2,1-4H3,(H,13,16).
What are the key properties of 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 64991676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).