3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide

C9H16N4O — CID 64524098

IUPAC3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4O/c1-3-6(2)5-11-9(14)7-4-8(10)13-12-7/h4,6H,3,5H2,1-2H3,(H,11,14)(H3,10,12,13)
InChIKeyBXMWKQOHFRLDGU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide

3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524098) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
PubChem CID64524098
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4O/c1-3-6(2)5-11-9(14)7-4-8(10)13-12-7/h4,6H,3,5H2,1-2H3,(H,11,14)(H3,10,12,13)
InChIKeyBXMWKQOHFRLDGU-UHFFFAOYSA-N
XLogP0.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226
3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 64523835
3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 65103461
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide (CID 64524098) is 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide is CCC(C)CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BXMWKQOHFRLDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-6(2)5-11-9(14)7-4-8(10)13-12-7/h4,6H,3,5H2,1-2H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).