N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide

C15H18ClN3O — CID 53197925

IUPACN-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-3-4-5-13(20)17-15-14(10(2)18-19-15)11-6-8-12(16)9-7-11/h6-9H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyVTABWCYKVFJKBG-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.17
Rot. Bonds5

About N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide

N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide (PubChem CID 53197925) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
PubChem CID53197925
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-3-4-5-13(20)17-15-14(10(2)18-19-15)11-6-8-12(16)9-7-11/h6-9H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyVTABWCYKVFJKBG-UHFFFAOYSA-N
XLogP4.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide (CID 53197925) is N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide is CCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide?
The InChIKey is VTABWCYKVFJKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-4-5-13(20)17-15-14(10(2)18-19-15)11-6-8-12(16)9-7-11/h6-9H,3-5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide?
N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide has a molecular weight of 291.78 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 53197925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).