1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C21H32N4O2 — CID 72858293

IUPAC1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCC1CCCN(Cc2ccco2)C1
InChIInChI=1S/C21H32N4O2/c1-4-25-20(12-18(23-25)11-16(2)3)21(26)22-13-17-7-5-9-24(14-17)15-19-8-6-10-27-19/h6,8,10,12,16-17H,4-5,7,9,11,13-15H2,1-3H3,(H,22,26)
InChIKeyCPRDPQFAGWSTPT-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.34
Rot. Bonds8

About 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 72858293) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID72858293
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCC1CCCN(Cc2ccco2)C1
InChIInChI=1S/C21H32N4O2/c1-4-25-20(12-18(23-25)11-16(2)3)21(26)22-13-17-7-5-9-24(14-17)15-19-8-6-10-27-19/h6,8,10,12,16-17H,4-5,7,9,11,13-15H2,1-3H3,(H,22,26)
InChIKeyCPRDPQFAGWSTPT-UHFFFAOYSA-N
XLogP3.34
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 72858293) is 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCC1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is CPRDPQFAGWSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-25-20(12-18(23-25)11-16(2)3)21(26)22-13-17-7-5-9-24(14-17)15-19-8-6-10-27-19/h6,8,10,12,16-17H,4-5,7,9,11,13-15H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72858293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).