N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C16H22N4O — CID 120652379

IUPACN-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H22N4O/c1-4-17-12(2)10-18-16(21)15-11-19-20(13(15)3)14-8-6-5-7-9-14/h5-9,11-12,17H,4,10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyNEMOHQNVJKEPGZ-GFCCVEGCSA-N
MW286.38 g/mol
LogP1.91
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 120652379) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID120652379
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H22N4O/c1-4-17-12(2)10-18-16(21)15-11-19-20(13(15)3)14-8-6-5-7-9-14/h5-9,11-12,17H,4,10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyNEMOHQNVJKEPGZ-GFCCVEGCSA-N
XLogP1.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
CID 120654519
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 120651600
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
trans-(1S,2R)-2-[[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732361
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 120652379) is N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide is CCN[C@H](C)CNC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is NEMOHQNVJKEPGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-17-12(2)10-18-16(21)15-11-19-20(13(15)3)14-8-6-5-7-9-14/h5-9,11-12,17H,4,10H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 120652379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).