N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C15H25N3O2 — CID 111426313

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)18-17-10)7-8-15(20)16-9-14(19)12-5-3-4-6-12/h12,14,19H,3-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJPLLSFYCKZEFML-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.63
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 111426313) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID111426313
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)18-17-10)7-8-15(20)16-9-14(19)12-5-3-4-6-12/h12,14,19H,3-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJPLLSFYCKZEFML-UHFFFAOYSA-N
XLogP1.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 111426313) is N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is JPLLSFYCKZEFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-13(11(2)18-17-10)7-8-15(20)16-9-14(19)12-5-3-4-6-12/h12,14,19H,3-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 111426313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).