1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide

C18H29N3O2 — CID 99786412

IUPAC1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccn(C2CCCC2)n1
InChIInChI=1S/C18H29N3O2/c1-13(2)12-17-15(8-5-11-23-17)19-18(22)16-9-10-21(20-16)14-6-3-4-7-14/h9-10,13-15,17H,3-8,11-12H2,1-2H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyMMYIFMSPALFVIU-NVXWUHKLSA-N
MW319.45 g/mol
LogP3.32
Rot. Bonds5

About 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide

1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide (PubChem CID 99786412) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
PubChem CID99786412
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccn(C2CCCC2)n1
InChIInChI=1S/C18H29N3O2/c1-13(2)12-17-15(8-5-11-23-17)19-18(22)16-9-10-21(20-16)14-6-3-4-7-14/h9-10,13-15,17H,3-8,11-12H2,1-2H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyMMYIFMSPALFVIU-NVXWUHKLSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide (CID 99786412) is 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide is CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide?
The InChIKey is MMYIFMSPALFVIU-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)12-17-15(8-5-11-23-17)19-18(22)16-9-10-21(20-16)14-6-3-4-7-14/h9-10,13-15,17H,3-8,11-12H2,1-2H3,(H,19,22)/t15-,17-/m1/s1.
What are the key properties of 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide?
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 99786412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).