3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide

C21H20ClN3O3 — CID 42686831

IUPAC3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-15-8-9-16(17(11-15)28-2)19-20(18(24-25-19)12-6-7-12)23-21(26)13-4-3-5-14(22)10-13/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMMCGKADZXRTUPL-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.88
Rot. Bonds6

About 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide

3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide (PubChem CID 42686831) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
PubChem CID42686831
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-15-8-9-16(17(11-15)28-2)19-20(18(24-25-19)12-6-7-12)23-21(26)13-4-3-5-14(22)10-13/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMMCGKADZXRTUPL-UHFFFAOYSA-N
XLogP4.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]urea
CID 42687445
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874188
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 42687455
3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
CID 42687643
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
4-chloro-N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]benzamide
CID 42874002
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
N-[5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 42686544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide (CID 42686831) is 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide is COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is MMCGKADZXRTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-15-8-9-16(17(11-15)28-2)19-20(18(24-25-19)12-6-7-12)23-21(26)13-4-3-5-14(22)10-13/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide?
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 397.86 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).