N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide

C9H15N3O — CID 131067296

IUPACN,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(2)12(4)9(13)8-5-10-11(3)6-8/h5-7H,1-4H3
InChIKeyNKQLGLNQTHNQSO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.90
Rot. Bonds2

About N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide

N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 131067296) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID131067296
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(2)12(4)9(13)8-5-10-11(3)6-8/h5-7H,1-4H3
InChIKeyNKQLGLNQTHNQSO-UHFFFAOYSA-N
XLogP0.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 63225000
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
1-methylpyrazole-4-carboxylate
CID 6979031
N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 67395479
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 47140649
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide (CID 131067296) is N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide is CC(C)N(C)C(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NKQLGLNQTHNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12(4)9(13)8-5-10-11(3)6-8/h5-7H,1-4H3.
What are the key properties of N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 131067296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).