5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide

C13H16N4O — CID 122171416

IUPAC5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(N)n(C)n1)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)15-13(18)11-8-12(14)17(2)16-11/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyOOQFSFGQHWLERJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds3

About 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide

5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide (PubChem CID 122171416) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
PubChem CID122171416
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(N)n(C)n1)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)15-13(18)11-8-12(14)17(2)16-11/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyOOQFSFGQHWLERJ-UHFFFAOYSA-N
XLogP1.49
TPSA72.94 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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 136586319
1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536800
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219015
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide (CID 122171416) is 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide is CC(NC(=O)c1cc(N)n(C)n1)c1ccccc1.
What is the InChIKey of 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is OOQFSFGQHWLERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)15-13(18)11-8-12(14)17(2)16-11/h3-9H,14H2,1-2H3,(H,15,18).
What are the key properties of 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 122171416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).