N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide

C10H7ClFN3O — CID 68947659

IUPACN-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7ClFN3O/c11-7-5-6(12)1-2-8(7)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyPDLYRDKUJZKLJN-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.45
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 68947659) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID68947659
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H7ClFN3O/c11-7-5-6(12)1-2-8(7)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyPDLYRDKUJZKLJN-UHFFFAOYSA-N
XLogP2.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 68947659) is N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1ccn[nH]1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PDLYRDKUJZKLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-7-5-6(12)1-2-8(7)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-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 239.64 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68947659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).