N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C17H26N6O — CID 71704386

IUPACN-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C17H26N6O/c1-11-14(12(2)21-20-11)8-10-16(24)19-17-18-15(22-23-17)9-7-13-5-3-4-6-13/h13H,3-10H2,1-2H3,(H,20,21)(H2,18,19,22,23,24)
InChIKeyUGQYUJOHNZJHJD-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.84
Rot. Bonds7

About N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 71704386) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID71704386
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C17H26N6O/c1-11-14(12(2)21-20-11)8-10-16(24)19-17-18-15(22-23-17)9-7-13-5-3-4-6-13/h13H,3-10H2,1-2H3,(H,20,21)(H2,18,19,22,23,24)
InChIKeyUGQYUJOHNZJHJD-UHFFFAOYSA-N
XLogP2.84
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 71704386) is N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is UGQYUJOHNZJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11-14(12(2)21-20-11)8-10-16(24)19-17-18-15(22-23-17)9-7-13-5-3-4-6-13/h13H,3-10H2,1-2H3,(H,20,21)(H2,18,19,22,23,24).
What are the key properties of N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 330.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 71704386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).