4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide

C22H24ClN3O2 — CID 42686376

IUPAC4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
SMILESCCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c1-3-4-19-21(24-22(27)16-8-10-17(23)11-9-16)20(26-25-19)14-7-15-5-12-18(28-2)13-6-15/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVRULMZAJZIINOX-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.06
Rot. Bonds8

About 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide

4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42686376) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
PubChem CID42686376
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
SMILESCCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c1-3-4-19-21(24-22(27)16-8-10-17(23)11-9-16)20(26-25-19)14-7-15-5-12-18(28-2)13-6-15/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVRULMZAJZIINOX-UHFFFAOYSA-N
XLogP5.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186
N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686342
4-chloro-N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42685781
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83101910
N-[4-hydroxy-2-[(4-propylphenyl)methylamino]phenyl]-4-methoxybenzamide
CID 86585756
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide (CID 42686376) is 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide is CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is VRULMZAJZIINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-3-4-19-21(24-22(27)16-8-10-17(23)11-9-16)20(26-25-19)14-7-15-5-12-18(28-2)13-6-15/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide?
4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).