4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide

C9H16N4O — CID 143263888

IUPAC4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide
SMILESCCC(CC)Nc1cn[nH]c1C(N)=O
InChIInChI=1S/C9H16N4O/c1-3-6(4-2)12-7-5-11-13-8(7)9(10)14/h5-6,12H,3-4H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyJWXLRXUEMOMZBI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.11
Rot. Bonds5

About 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide

4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide (PubChem CID 143263888) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide
PubChem CID143263888
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide
SMILESCCC(CC)Nc1cn[nH]c1C(N)=O
InChIInChI=1S/C9H16N4O/c1-3-6(4-2)12-7-5-11-13-8(7)9(10)14/h5-6,12H,3-4H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyJWXLRXUEMOMZBI-UHFFFAOYSA-N
XLogP1.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide
CID 167959132
4-butyl-1H-pyrazole-5-carboxamide
CID 141158124
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide
CID 175853989
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate
CID 114995527
4-nitro-3-(pentan-3-ylamino)benzamide
CID 82995194
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
ethyl 4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-carboxylate
CID 115904616
methyl 4-carbamoyl-2-fluoro-5-(pentan-3-ylamino)benzoate
CID 67403888

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide (CID 143263888) is 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide is CCC(CC)Nc1cn[nH]c1C(N)=O.
What is the InChIKey of 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is JWXLRXUEMOMZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-6(4-2)12-7-5-11-13-8(7)9(10)14/h5-6,12H,3-4H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide?
4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).