1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide

C17H28N4O2 — CID 99739991

IUPAC1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C[C@H]2CCOC2)C2CCN(C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-3-20-10-6-16(18-20)17(22)21(12-14-7-11-23-13-14)15-4-8-19(2)9-5-15/h6,10,14-15H,3-5,7-9,11-13H2,1-2H3/t14-/m1/s1
InChIKeyWRCRRXRWCWJNMS-CQSZACIVSA-N
MW320.44 g/mol
LogP1.48
Rot. Bonds5

About 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide

1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide (PubChem CID 99739991) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
PubChem CID99739991
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C[C@H]2CCOC2)C2CCN(C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-3-20-10-6-16(18-20)17(22)21(12-14-7-11-23-13-14)15-4-8-19(2)9-5-15/h6,10,14-15H,3-5,7-9,11-13H2,1-2H3/t14-/m1/s1
InChIKeyWRCRRXRWCWJNMS-CQSZACIVSA-N
XLogP1.48
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide (CID 99739991) is 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)N(C[C@H]2CCOC2)C2CCN(C)CC2)n1.
What is the InChIKey of 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is WRCRRXRWCWJNMS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-20-10-6-16(18-20)17(22)21(12-14-7-11-23-13-14)15-4-8-19(2)9-5-15/h6,10,14-15H,3-5,7-9,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide?
1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 99739991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).