N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C10H7Cl2N3O — CID 3495695

IUPACN-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O/c11-7-2-1-6(5-8(7)12)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyVTCSLYLNYRCXQP-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.97
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 3495695) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID3495695
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC NameN-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O/c11-7-2-1-6(5-8(7)12)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)
InChIKeyVTCSLYLNYRCXQP-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 3495695) is N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn[nH]1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VTCSLYLNYRCXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-2-1-6(5-8(7)12)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16).
What are the key properties of N-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-(3,4-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-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3495695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).