2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

C16H16ClN5O — CID 19340031

IUPAC2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCCn1cc(Cn2cc(NC(=O)c3ccccc3Cl)cn2)cn1
InChIInChI=1S/C16H16ClN5O/c1-2-21-9-12(7-18-21)10-22-11-13(8-19-22)20-16(23)14-5-3-4-6-15(14)17/h3-9,11H,2,10H2,1H3,(H,20,23)
InChIKeyLJCXGZXSEPMWQT-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19340031) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
PubChem CID19340031
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCCn1cc(Cn2cc(NC(=O)c3ccccc3Cl)cn2)cn1
InChIInChI=1S/C16H16ClN5O/c1-2-21-9-12(7-18-21)10-22-11-13(8-19-22)20-16(23)14-5-3-4-6-15(14)17/h3-9,11H,2,10H2,1H3,(H,20,23)
InChIKeyLJCXGZXSEPMWQT-UHFFFAOYSA-N
XLogP3.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340226
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 19340031) is 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is CCn1cc(Cn2cc(NC(=O)c3ccccc3Cl)cn2)cn1.
What is the InChIKey of 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is LJCXGZXSEPMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-2-21-9-12(7-18-21)10-22-11-13(8-19-22)20-16(23)14-5-3-4-6-15(14)17/h3-9,11H,2,10H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 329.79 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).