N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide

C9H15N3O — CID 35763828

IUPACN-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccn(C)n1
InChIInChI=1S/C9H15N3O/c1-4-7(2)10-9(13)8-5-6-12(3)11-8/h5-7H,4H2,1-3H3,(H,10,13)/t7-/m0/s1
InChIKeyIOZPDIUMBROUGA-ZETCQYMHSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

About N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide

N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 35763828) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
PubChem CID35763828
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccn(C)n1
InChIInChI=1S/C9H15N3O/c1-4-7(2)10-9(13)8-5-6-12(3)11-8/h5-7H,4H2,1-3H3,(H,10,13)/t7-/m0/s1
InChIKeyIOZPDIUMBROUGA-ZETCQYMHSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
CID 103118084
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
N-(1-bromo-4-methylpentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122709
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750
N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide
CID 103122894
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide (CID 35763828) is N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide is CC[C@H](C)NC(=O)c1ccn(C)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is IOZPDIUMBROUGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7(2)10-9(13)8-5-6-12(3)11-8/h5-7H,4H2,1-3H3,(H,10,13)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide?
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 35763828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).