4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide

C21H20ClN3O2 — CID 71588504

IUPAC4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
SMILESCOc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-27-18-10-2-14(3-11-18)13-25-20(12-19(24-25)15-4-5-15)23-21(26)16-6-8-17(22)9-7-16/h2-3,6-12,15H,4-5,13H2,1H3,(H,23,26)
InChIKeySRADFUKMRYFOPT-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.72
Rot. Bonds6

About 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide

4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide (PubChem CID 71588504) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
PubChem CID71588504
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
SMILESCOc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-27-18-10-2-14(3-11-18)13-25-20(12-19(24-25)15-4-5-15)23-21(26)16-6-8-17(22)9-7-16/h2-3,6-12,15H,4-5,13H2,1H3,(H,23,26)
InChIKeySRADFUKMRYFOPT-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-4-(pyrrolidin-1-ylmethyl)benzamide;hydrochloride
CID 44568596
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 11963134
N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylacetamide
CID 44448324
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
CID 44448326
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2-cyclohexylacetamide
CID 44448372
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 44448405
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-3-(ethylaminomethyl)benzamide;hydrochloride
CID 44568507
N-[1-({5-Chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-yl]-3-[(dimethylamino)methyl]benzamide hydrochloride
CID 44568509
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;hydrochloride
CID 44568511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide (CID 71588504) is 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide is COc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
The InChIKey is SRADFUKMRYFOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-18-10-2-14(3-11-18)13-25-20(12-19(24-25)15-4-5-15)23-21(26)16-6-8-17(22)9-7-16/h2-3,6-12,15H,4-5,13H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide is sourced from PubChem (CID 71588504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).