N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide

C11H9ClF2N4O — CID 82781958

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1N
InChIInChI=1S/C11H9ClF2N4O/c1-4-9(15)10(18-17-4)16-11(19)5-2-8(14)6(12)3-7(5)13/h2-3H,15H2,1H3,(H2,16,17,18,19)
InChIKeyQVNMOQAWJVMFKW-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.48
Rot. Bonds2

About N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide (PubChem CID 82781958) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide
PubChem CID82781958
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1N
InChIInChI=1S/C11H9ClF2N4O/c1-4-9(15)10(18-17-4)16-11(19)5-2-8(14)6(12)3-7(5)13/h2-3H,15H2,1H3,(H2,16,17,18,19)
InChIKeyQVNMOQAWJVMFKW-UHFFFAOYSA-N
XLogP2.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
CID 115609989
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 75501249
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61468161
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309073
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 154805189

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide (CID 82781958) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide is Cc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is QVNMOQAWJVMFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c1-4-9(15)10(18-17-4)16-11(19)5-2-8(14)6(12)3-7(5)13/h2-3H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 286.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82781958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).