N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide

C14H18N4O2 — CID 64541460

IUPACN-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(O)C(N)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-10(19)13(15)8-16-14(20)11-7-17-18(9-11)12-5-3-2-4-6-12/h2-7,9-10,13,19H,8,15H2,1H3,(H,16,20)
InChIKeyFHQIJYFWZXTAHO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.31
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide

N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 64541460) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
PubChem CID64541460
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(O)C(N)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-10(19)13(15)8-16-14(20)11-7-17-18(9-11)12-5-3-2-4-6-12/h2-7,9-10,13,19H,8,15H2,1H3,(H,16,20)
InChIKeyFHQIJYFWZXTAHO-UHFFFAOYSA-N
XLogP0.31
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 111662226
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119599101
N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide
CID 112550736

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide (CID 64541460) is N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide is CC(O)C(N)CNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FHQIJYFWZXTAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)13(15)8-16-14(20)11-7-17-18(9-11)12-5-3-2-4-6-12/h2-7,9-10,13,19H,8,15H2,1H3,(H,16,20).
What are the key properties of N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide?
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 64541460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).