N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide

C13H15N3O2 — CID 83030878

IUPACN-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H](O)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c1-10(17)7-14-13(18)11-8-15-16(9-11)12-5-3-2-4-6-12/h2-6,8-10,17H,7H2,1H3,(H,14,18)/t10-/m0/s1
InChIKeyZDXPRYUIFNMLHG-JTQLQIEISA-N
MW245.28 g/mol
LogP0.98
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide

N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 83030878) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
PubChem CID83030878
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H](O)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c1-10(17)7-14-13(18)11-8-15-16(9-11)12-5-3-2-4-6-12/h2-6,8-10,17H,7H2,1H3,(H,14,18)/t10-/m0/s1
InChIKeyZDXPRYUIFNMLHG-JTQLQIEISA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 111662226
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide (CID 83030878) is N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide is C[C@H](O)CNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZDXPRYUIFNMLHG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(17)7-14-13(18)11-8-15-16(9-11)12-5-3-2-4-6-12/h2-6,8-10,17H,7H2,1H3,(H,14,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide?
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 83030878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).