N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C10H8ClN3O2 — CID 16678665

IUPACN-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccn[nH]1
InChIInChI=1S/C10H8ClN3O2/c11-6-1-2-9(15)8(5-6)13-10(16)7-3-4-12-14-7/h1-5,15H,(H,12,14)(H,13,16)
InChIKeyVITDPRJPSXGSFO-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.02
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 16678665) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID16678665
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccn[nH]1
InChIInChI=1S/C10H8ClN3O2/c11-6-1-2-9(15)8(5-6)13-10(16)7-3-4-12-14-7/h1-5,15H,(H,12,14)(H,13,16)
InChIKeyVITDPRJPSXGSFO-UHFFFAOYSA-N
XLogP2.02
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 19511215
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 55208813
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56790133
3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086291
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63080337
3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086288
N-(5-chloro-2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902311
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 102989436
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 16678665) is N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccn[nH]1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VITDPRJPSXGSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-6-1-2-9(15)8(5-6)13-10(16)7-3-4-12-14-7/h1-5,15H,(H,12,14)(H,13,16).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16678665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).