1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide

C10H15N3O2 — CID 103118084

IUPAC1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccn(C)n1
InChIInChI=1S/C10H15N3O2/c1-4-9(14)7(2)11-10(15)8-5-6-13(3)12-8/h5-7H,4H2,1-3H3,(H,11,15)
InChIKeyKHDCJGKPZDOFKD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.52
Rot. Bonds4

About 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide

1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide (PubChem CID 103118084) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
PubChem CID103118084
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccn(C)n1
InChIInChI=1S/C10H15N3O2/c1-4-9(14)7(2)11-10(15)8-5-6-13(3)12-8/h5-7H,4H2,1-3H3,(H,11,15)
InChIKeyKHDCJGKPZDOFKD-UHFFFAOYSA-N
XLogP0.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
4-(1-methylpyrazole-3-carbonyl)heptane-3,5-dione
CID 107431184
N-(1-bromo-4-methylpentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122709
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide (CID 103118084) is 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide is CCC(=O)C(C)NC(=O)c1ccn(C)n1.
What is the InChIKey of 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide?
The InChIKey is KHDCJGKPZDOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-9(14)7(2)11-10(15)8-5-6-13(3)12-8/h5-7H,4H2,1-3H3,(H,11,15).
What are the key properties of 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide?
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 103118084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).