N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C14H12BrN5O — CID 164614409

IUPACN-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H12BrN5O/c15-11-2-4-12(5-3-11)17-14(21)13-6-9-20(18-13)10-19-8-1-7-16-19/h1-9H,10H2,(H,17,21)
InChIKeyLAAKYOVZHBOFEV-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.60
Rot. Bonds4

About N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 164614409) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID164614409
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H12BrN5O/c15-11-2-4-12(5-3-11)17-14(21)13-6-9-20(18-13)10-19-8-1-7-16-19/h1-9H,10H2,(H,17,21)
InChIKeyLAAKYOVZHBOFEV-UHFFFAOYSA-N
XLogP2.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 164614409) is N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccn(Cn2cccn2)n1.
What is the InChIKey of N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is LAAKYOVZHBOFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-11-2-4-12(5-3-11)17-14(21)13-6-9-20(18-13)10-19-8-1-7-16-19/h1-9H,10H2,(H,17,21).
What are the key properties of N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 346.19 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 164614409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).