N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C16H22N4O2 — CID 119568712

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C16H22N4O2/c1-3-16(4-2,11-17)18-15(22)14-13(21)10-20(19-14)12-8-6-5-7-9-12/h5-10,21H,3-4,11,17H2,1-2H3,(H,18,22)
InChIKeyRKSCDUFJHSEPJG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.83
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 119568712) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID119568712
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C16H22N4O2/c1-3-16(4-2,11-17)18-15(22)14-13(21)10-20(19-14)12-8-6-5-7-9-12/h5-10,21H,3-4,11,17H2,1-2H3,(H,18,22)
InChIKeyRKSCDUFJHSEPJG-UHFFFAOYSA-N
XLogP1.83
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119571155
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 119032239
propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate
CID 112803711
N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 63889553
(3S)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71458888
N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657614
N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112806377
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 119568712) is N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is CCC(CC)(CN)NC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is RKSCDUFJHSEPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-16(4-2,11-17)18-15(22)14-13(21)10-20(19-14)12-8-6-5-7-9-12/h5-10,21H,3-4,11,17H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 119568712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).