4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide

C13H16N4O — CID 19620372

IUPAC4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C13H16N4O/c1-17-9-11(14)12(16-17)13(18)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18)
InChIKeyZZPFDEKSDPYDHN-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide (PubChem CID 19620372) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
PubChem CID19620372
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C13H16N4O/c1-17-9-11(14)12(16-17)13(18)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18)
InChIKeyZZPFDEKSDPYDHN-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 103004054
3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 54213581
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide (CID 19620372) is 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is ZZPFDEKSDPYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-9-11(14)12(16-17)13(18)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.97, 4 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-(2-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19620372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).