4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride

C15H20BrClN4O — CID 120650090

IUPAC4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl
InChIInChI=1S/C15H19BrN4O.ClH/c1-3-17-10(2)9-18-15(21)14-12(16)13(19-20-14)11-7-5-4-6-8-11;/h4-8,10,17H,3,9H2,1-2H3,(H,18,21)(H,19,20);1H/t10-;/m1./s1
InChIKeyWACQGDCLNURIAB-HNCPQSOCSA-N
MW387.71 g/mol
LogP2.99
Rot. Bonds6

About 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride

4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 120650090) has the molecular formula C15H20BrClN4O and a molecular weight of 387.71 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID120650090
Molecular FormulaC15H20BrClN4O
Molecular Weight387.71 g/mol
Exact Mass386.05
IUPAC Name4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl
InChIInChI=1S/C15H19BrN4O.ClH/c1-3-17-10(2)9-18-15(21)14-12(16)13(19-20-14)11-7-5-4-6-8-11;/h4-8,10,17H,3,9H2,1-2H3,(H,18,21)(H,19,20);1H/t10-;/m1./s1
InChIKeyWACQGDCLNURIAB-HNCPQSOCSA-N
XLogP2.99
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528510
4-bromo-N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110907793
methyl 5-[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoate
CID 60591032
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 60590416
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride (CID 120650090) is 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl.
What is the InChIKey of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is WACQGDCLNURIAB-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H19BrN4O.ClH/c1-3-17-10(2)9-18-15(21)14-12(16)13(19-20-14)11-7-5-4-6-8-11;/h4-8,10,17H,3,9H2,1-2H3,(H,18,21)(H,19,20);1H/t10-;/m1./s1.
What are the key properties of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 387.71 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120650090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).