5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

C13H16N4O — CID 97036083

IUPAC5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccc(-n2ncc(C(N)=O)c2N)cc1
InChIInChI=1S/C13H16N4O/c1-8(2)9-3-5-10(6-4-9)17-12(14)11(7-16-17)13(15)18/h3-8H,14H2,1-2H3,(H2,15,18)
InChIKeyFSSJKBMHKJAKFV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.68
Rot. Bonds3

About 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (PubChem CID 97036083) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
PubChem CID97036083
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccc(-n2ncc(C(N)=O)c2N)cc1
InChIInChI=1S/C13H16N4O/c1-8(2)9-3-5-10(6-4-9)17-12(14)11(7-16-17)13(15)18/h3-8H,14H2,1-2H3,(H2,15,18)
InChIKeyFSSJKBMHKJAKFV-UHFFFAOYSA-N
XLogP1.68
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
CID 97036087
1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818387
5-(5-amino-4-carbamoylpyrazol-1-yl)-2-chlorobenzoate
CID 2414021
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
CID 83241101
5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide
CID 58110948
1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide
CID 39869839
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
5-amino-1-(4-tert-butylphenyl)pyrazole-4-carboxylic acid
CID 82089868
5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
CID 58110912
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (CID 97036083) is 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is CC(C)c1ccc(-n2ncc(C(N)=O)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is FSSJKBMHKJAKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8(2)9-3-5-10(6-4-9)17-12(14)11(7-16-17)13(15)18/h3-8H,14H2,1-2H3,(H2,15,18).
What are the key properties of 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 97036083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).