N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide

C17H23N3O2 — CID 111662226

IUPACN-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-2-6-14(9-10-21)11-18-17(22)15-12-19-20(13-15)16-7-4-3-5-8-16/h3-5,7-8,12-14,21H,2,6,9-11H2,1H3,(H,18,22)
InChIKeyPHIGTUYXDSUZOE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 111662226) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
PubChem CID111662226
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-2-6-14(9-10-21)11-18-17(22)15-12-19-20(13-15)16-7-4-3-5-8-16/h3-5,7-8,12-14,21H,2,6,9-11H2,1H3,(H,18,22)
InChIKeyPHIGTUYXDSUZOE-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide (CID 111662226) is N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide is CCCC(CCO)CNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PHIGTUYXDSUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-6-14(9-10-21)11-18-17(22)15-12-19-20(13-15)16-7-4-3-5-8-16/h3-5,7-8,12-14,21H,2,6,9-11H2,1H3,(H,18,22).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111662226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).