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

C20H27N3O — CID 42686209

IUPACN-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCC1
InChIInChI=1S/C20H27N3O/c1-4-7-17-19(21-20(24)15-8-5-6-9-15)18(23-22-17)16-11-10-13(2)12-14(16)3/h10-12,15H,4-9H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVTIRAOBAENEGSG-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.77
Rot. Bonds5

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

N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 42686209) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID42686209
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCC1
InChIInChI=1S/C20H27N3O/c1-4-7-17-19(21-20(24)15-8-5-6-9-15)18(23-22-17)16-11-10-13(2)12-14(16)3/h10-12,15H,4-9H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVTIRAOBAENEGSG-UHFFFAOYSA-N
XLogP4.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 42686209) is N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide is CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is VTIRAOBAENEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-7-17-19(21-20(24)15-8-5-6-9-15)18(23-22-17)16-11-10-13(2)12-14(16)3/h10-12,15H,4-9H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42686209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).