5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide

C7H12N4O — CID 58431176

IUPAC5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESCC(C)Nc1[nH]ncc1C(N)=O
InChIInChI=1S/C7H12N4O/c1-4(2)10-7-5(6(8)12)3-9-11-7/h3-4H,1-2H3,(H2,8,12)(H2,9,10,11)
InChIKeyRAUGVEXENVDDSV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.33
Rot. Bonds3

About 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide

5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 58431176) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID58431176
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESCC(C)Nc1[nH]ncc1C(N)=O
InChIInChI=1S/C7H12N4O/c1-4(2)10-7-5(6(8)12)3-9-11-7/h3-4H,1-2H3,(H2,8,12)(H2,9,10,11)
InChIKeyRAUGVEXENVDDSV-UHFFFAOYSA-N
XLogP0.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide (CID 58431176) is 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide is CC(C)Nc1[nH]ncc1C(N)=O.
What is the InChIKey of 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is RAUGVEXENVDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)10-7-5(6(8)12)3-9-11-7/h3-4H,1-2H3,(H2,8,12)(H2,9,10,11).
What are the key properties of 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 58431176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).