3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide

C8H14N4O — CID 64524201

IUPAC3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H14N4O/c1-3-5(2)10-8(13)6-4-7(9)12-11-6/h4-5H,3H2,1-2H3,(H,10,13)(H3,9,11,12)
InChIKeyHUMOQIAVBVABQT-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide

3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 64524201) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID64524201
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H14N4O/c1-3-5(2)10-8(13)6-4-7(9)12-11-6/h4-5H,3H2,1-2H3,(H,10,13)(H3,9,11,12)
InChIKeyHUMOQIAVBVABQT-UHFFFAOYSA-N
XLogP0.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 64524871
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
CID 64525404
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
3-amino-N-(1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523510
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide (CID 64524201) is 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HUMOQIAVBVABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-5(2)10-8(13)6-4-7(9)12-11-6/h4-5H,3H2,1-2H3,(H,10,13)(H3,9,11,12).
What are the key properties of 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide?
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).