N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C10H7Cl2N3O — CID 68952080

IUPACN-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-2-8(7(12)5-6)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyQHQRSWDSMKGWAV-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.97
Rot. Bonds2

About N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 68952080) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID68952080
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC NameN-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-2-8(7(12)5-6)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyQHQRSWDSMKGWAV-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086291
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
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
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
5-iodo-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63111258
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
N-(2,4-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60715317

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 68952080) is N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccn[nH]1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QHQRSWDSMKGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-1-2-8(7(12)5-6)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16).
What are the key properties of N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 256.09 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68952080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).