N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide

C12H14N4O — CID 63120557

IUPACN-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESNC(CNC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O/c13-10(9-4-2-1-3-5-9)8-14-12(17)11-6-7-15-16-11/h1-7,10H,8,13H2,(H,14,17)(H,15,16)
InChIKeyLHBFNYLSYZPPIR-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.84
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide

N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63120557) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
PubChem CID63120557
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESNC(CNC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O/c13-10(9-4-2-1-3-5-9)8-14-12(17)11-6-7-15-16-11/h1-7,10H,8,13H2,(H,14,17)(H,15,16)
InChIKeyLHBFNYLSYZPPIR-UHFFFAOYSA-N
XLogP0.84
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
N-(2-amino-2-phenylethyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 63120519
N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63754503
N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
CID 97227601
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-(2-amino-2-phenylethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 63120540
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 60615566

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide (CID 63120557) is N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide is NC(CNC(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LHBFNYLSYZPPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10(9-4-2-1-3-5-9)8-14-12(17)11-6-7-15-16-11/h1-7,10H,8,13H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide?
N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63120557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).