3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

C15H18ClN3O — CID 3238106

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Cn2cc(Cl)cn2)c1
InChIInChI=1S/C15H18ClN3O/c1-11(2)7-17-15(20)13-5-3-4-12(6-13)9-19-10-14(16)8-18-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)
InChIKeyINNXXNMBUZZRQC-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.97
Rot. Bonds5

About 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 3238106) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID3238106
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Cn2cc(Cl)cn2)c1
InChIInChI=1S/C15H18ClN3O/c1-11(2)7-17-15(20)13-5-3-4-12(6-13)9-19-10-14(16)8-18-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)
InChIKeyINNXXNMBUZZRQC-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[(4-chloropyrazol-1-yl)methyl]benzenecarbothioamide
CID 61035925
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 126815644
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
1-benzyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 86996216
3-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-N-(2-methylpropyl)benzamide
CID 136518363
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 3238106) is 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(Cn2cc(Cl)cn2)c1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is INNXXNMBUZZRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(2)7-17-15(20)13-5-3-4-12(6-13)9-19-10-14(16)8-18-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 291.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 3238106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).