N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide

C15H19N3O2 — CID 97118692

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-6-12-9-13(18-17-12)15(20)16-10-14(19)11-7-4-3-5-8-11/h3-5,7-9,14,19H,2,6,10H2,1H3,(H,16,20)(H,17,18)/t14-/m1/s1
InChIKeyAVTZYNRQXKMUBV-CQSZACIVSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97118692) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97118692
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-6-12-9-13(18-17-12)15(20)16-10-14(19)11-7-4-3-5-8-11/h3-5,7-9,14,19H,2,6,10H2,1H3,(H,16,20)(H,17,18)/t14-/m1/s1
InChIKeyAVTZYNRQXKMUBV-CQSZACIVSA-N
XLogP1.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 138993451
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86840228
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97128347
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55962372
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97118692) is N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC[C@@H](O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is AVTZYNRQXKMUBV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-6-12-9-13(18-17-12)15(20)16-10-14(19)11-7-4-3-5-8-11/h3-5,7-9,14,19H,2,6,10H2,1H3,(H,16,20)(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97118692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).