N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide

C13H14ClN3O2 — CID 75523447

IUPACN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1ccn[nH]1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-13(19,9-4-2-3-5-10(9)14)8-15-12(18)11-6-7-16-17-11/h2-7,19H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyAGCRWXBTFCJQLA-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide (PubChem CID 75523447) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
PubChem CID75523447
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1ccn[nH]1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-13(19,9-4-2-3-5-10(9)14)8-15-12(18)11-6-7-16-17-11/h2-7,19H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyAGCRWXBTFCJQLA-UHFFFAOYSA-N
XLogP1.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 75508221
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
CID 86793655
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-1-hydroxycyclopentane-1-carboxamide
CID 99702505
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
CID 114383559
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide (CID 75523447) is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide is CC(O)(CNC(=O)c1ccn[nH]1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AGCRWXBTFCJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(19,9-4-2-3-5-10(9)14)8-15-12(18)11-6-7-16-17-11/h2-7,19H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide?
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75523447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).