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

C14H23N3O2 — CID 45238083

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC1(C)CCCO1
InChIInChI=1S/C14H23N3O2/c1-10-12(11(2)17-16-10)5-6-13(18)15-9-14(3)7-4-8-19-14/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWNOOVQSLMBVEAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.64
Rot. Bonds5

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide (PubChem CID 45238083) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
PubChem CID45238083
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC1(C)CCCO1
InChIInChI=1S/C14H23N3O2/c1-10-12(11(2)17-16-10)5-6-13(18)15-9-14(3)7-4-8-19-14/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWNOOVQSLMBVEAA-UHFFFAOYSA-N
XLogP1.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide (CID 45238083) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide is Cc1n[nH]c(C)c1CCC(=O)NCC1(C)CCCO1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
The InChIKey is WNOOVQSLMBVEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(11(2)17-16-10)5-6-13(18)15-9-14(3)7-4-8-19-14/h4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide is sourced from PubChem (CID 45238083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).