N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide

C19H16ClF2N3O — CID 42686102

IUPACN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H16ClF2N3O/c1-2-4-16-18(17(25-24-16)11-5-3-6-13(20)7-11)23-19(26)12-8-14(21)10-15(22)9-12/h3,5-10H,2,4H2,1H3,(H,23,26)(H,24,25)
InChIKeyIBGUCWVTJWNFHD-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.21
Rot. Bonds5

About N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide (PubChem CID 42686102) has the molecular formula C19H16ClF2N3O and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
PubChem CID42686102
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H16ClF2N3O/c1-2-4-16-18(17(25-24-16)11-5-3-6-13(20)7-11)23-19(26)12-8-14(21)10-15(22)9-12/h3,5-10H,2,4H2,1H3,(H,23,26)(H,24,25)
InChIKeyIBGUCWVTJWNFHD-UHFFFAOYSA-N
XLogP5.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686085
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686092
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
CID 42687226

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide (CID 42686102) is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide is CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide?
The InChIKey is IBGUCWVTJWNFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c1-2-4-16-18(17(25-24-16)11-5-3-6-13(20)7-11)23-19(26)12-8-14(21)10-15(22)9-12/h3,5-10H,2,4H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide?
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide has a molecular weight of 375.81 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 42686102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).