1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen

C8H15N3O — CID 169175366

IUPAC1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
SMILESCC(C)NC(=O)c1cnn(C)c1.[H][H]
InChIInChI=1S/C8H13N3O.H2/c1-6(2)10-8(12)7-4-9-11(3)5-7;/h4-6H,1-3H3,(H,10,12);1H
InChIKeyALZMUIZWTUIYKF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.80
Rot. Bonds2

About 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen

1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen (PubChem CID 169175366) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
PubChem CID169175366
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
SMILESCC(C)NC(=O)c1cnn(C)c1.[H][H]
InChIInChI=1S/C8H13N3O.H2/c1-6(2)10-8(12)7-4-9-11(3)5-7;/h4-6H,1-3H3,(H,10,12);1H
InChIKeyALZMUIZWTUIYKF-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
CID 61120053
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen?
The IUPAC name of 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen (CID 169175366) is 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen?
The canonical SMILES for 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen is CC(C)NC(=O)c1cnn(C)c1.[H][H].
What is the InChIKey of 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen?
The InChIKey is ALZMUIZWTUIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.H2/c1-6(2)10-8(12)7-4-9-11(3)5-7;/h4-6H,1-3H3,(H,10,12);1H.
What are the key properties of 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen?
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen has a molecular weight of 169.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 169175366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).