5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide

C10H18N4O — CID 115330307

IUPAC5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H18N4O/c1-4-7(5-2)13-10(15)8-6-12-14(3)9(8)11/h6-7H,4-5,11H2,1-3H3,(H,13,15)
InChIKeyNHUBMQKYGAITHO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds4

About 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide

5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 115330307) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
PubChem CID115330307
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H18N4O/c1-4-7(5-2)13-10(15)8-6-12-14(3)9(8)11/h6-7H,4-5,11H2,1-3H3,(H,13,15)
InChIKeyNHUBMQKYGAITHO-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
CID 82546712
5-amino-N-[5-(diethylamino)pentan-2-yl]-1-methylpyrazole-4-carboxamide
CID 115330341
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557
5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
CID 103528129

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide (CID 115330307) is 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is NHUBMQKYGAITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-7(5-2)13-10(15)8-6-12-14(3)9(8)11/h6-7H,4-5,11H2,1-3H3,(H,13,15).
What are the key properties of 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide?
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 115330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).