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

C12H14N4O — CID 63754503

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

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

N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63754503) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide
PubChem CID63754503
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESNCC(NC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O/c13-8-11(9-4-2-1-3-5-9)15-12(17)10-6-7-14-16-10/h1-7,11H,8,13H2,(H,14,16)(H,15,17)
InChIKeyJGEBDYQANZRPMC-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

N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63120557
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
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CID 63755943
N-(2-amino-1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 106737632
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
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CID 83179850

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide (CID 63754503) is N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide is NCC(NC(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JGEBDYQANZRPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-11(9-4-2-1-3-5-9)15-12(17)10-6-7-14-16-10/h1-7,11H,8,13H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide?
N-(2-amino-1-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-1-phenylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63754503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).