4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

C13H16N4O — CID 107863890

IUPAC4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1nn(C)cc1N)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)15-13(18)12-11(14)8-17(2)16-12/h3-9H,14H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyQBZAQJKQZVXJIK-VIFPVBQESA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds3

About 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (PubChem CID 107863890) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
PubChem CID107863890
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1nn(C)cc1N)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)15-13(18)12-11(14)8-17(2)16-12/h3-9H,14H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyQBZAQJKQZVXJIK-VIFPVBQESA-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

1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736
4-amino-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 114182277
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
CID 65354482
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 110484935
1-methyl-4-nitro-N-[1-(4-phenoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 75395693
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (CID 107863890) is 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is C[C@H](NC(=O)c1nn(C)cc1N)c1ccccc1.
What is the InChIKey of 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is QBZAQJKQZVXJIK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)15-13(18)12-11(14)8-17(2)16-12/h3-9H,14H2,1-2H3,(H,15,18)/t9-/m0/s1.
What are the key properties of 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[(1S)-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 4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107863890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).