1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide

C18H30N4O2 — CID 99819560

IUPAC1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2(C)C)cnn1C1CCCC1
InChIInChI=1S/C18H30N4O2/c1-14-16(12-20-22(14)15-6-4-5-7-15)17(23)19-8-9-21-10-11-24-13-18(21,2)3/h12,15H,4-11,13H2,1-3H3,(H,19,23)
InChIKeyHHEDXESFRMCHMI-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.15
Rot. Bonds5

About 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 99819560) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID99819560
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2(C)C)cnn1C1CCCC1
InChIInChI=1S/C18H30N4O2/c1-14-16(12-20-22(14)15-6-4-5-7-15)17(23)19-8-9-21-10-11-24-13-18(21,2)3/h12,15H,4-11,13H2,1-3H3,(H,19,23)
InChIKeyHHEDXESFRMCHMI-UHFFFAOYSA-N
XLogP2.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide (CID 99819560) is 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCCN2CCOCC2(C)C)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is HHEDXESFRMCHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-16(12-20-22(14)15-6-4-5-7-15)17(23)19-8-9-21-10-11-24-13-18(21,2)3/h12,15H,4-11,13H2,1-3H3,(H,19,23).
What are the key properties of 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99819560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).