N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride

C14H19ClN4O — CID 119528413

IUPACN-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(N)c2ccccc2)nn1C.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-10-8-13(17-18(10)2)14(19)16-9-12(15)11-6-4-3-5-7-11;/h3-8,12H,9,15H2,1-2H3,(H,16,19);1H
InChIKeyPHQGPKQQLXLAEG-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.58
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119528413) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
PubChem CID119528413
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(N)c2ccccc2)nn1C.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-10-8-13(17-18(10)2)14(19)16-9-12(15)11-6-4-3-5-7-11;/h3-8,12H,9,15H2,1-2H3,(H,16,19);1H
InChIKeyPHQGPKQQLXLAEG-UHFFFAOYSA-N
XLogP1.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
CID 120528822
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219015
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828
N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63120256

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride (CID 119528413) is N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(N)c2ccccc2)nn1C.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is PHQGPKQQLXLAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-10-8-13(17-18(10)2)14(19)16-9-12(15)11-6-4-3-5-7-11;/h3-8,12H,9,15H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119528413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).