N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide

C19H16ClF2N3O — CID 42686101

IUPACN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H16ClF2N3O/c1-2-4-16-18(17(25-24-16)11-5-3-6-12(20)9-11)23-19(26)14-8-7-13(21)10-15(14)22/h3,5-10H,2,4H2,1H3,(H,23,26)(H,24,25)
InChIKeyAYUNQJMUGMFYJM-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.21
Rot. Bonds5

About N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide (PubChem CID 42686101) 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]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
PubChem CID42686101
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H16ClF2N3O/c1-2-4-16-18(17(25-24-16)11-5-3-6-12(20)9-11)23-19(26)14-8-7-13(21)10-15(14)22/h3,5-10H,2,4H2,1H3,(H,23,26)(H,24,25)
InChIKeyAYUNQJMUGMFYJM-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide (CID 42686101) is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide is CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The InChIKey is AYUNQJMUGMFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c1-2-4-16-18(17(25-24-16)11-5-3-6-12(20)9-11)23-19(26)14-8-7-13(21)10-15(14)22/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]-2,4-difluorobenzamide?
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-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]-2,4-difluorobenzamide is sourced from PubChem (CID 42686101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).