1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide

C17H27N3O2 — CID 164630663

IUPAC1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCC(C)(C)O2)cnn1C1CCCC1
InChIInChI=1S/C17H27N3O2/c1-12-15(11-19-20(12)13-6-4-5-7-13)16(21)18-10-14-8-9-17(2,3)22-14/h11,13-14H,4-10H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyVAVNAAWFULLLSK-CQSZACIVSA-N
MW305.42 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 164630663) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID164630663
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCC(C)(C)O2)cnn1C1CCCC1
InChIInChI=1S/C17H27N3O2/c1-12-15(11-19-20(12)13-6-4-5-7-13)16(21)18-10-14-8-9-17(2,3)22-14/h11,13-14H,4-10H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyVAVNAAWFULLLSK-CQSZACIVSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.99
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)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide (CID 164630663) is 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC[C@H]2CCC(C)(C)O2)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is VAVNAAWFULLLSK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-15(11-19-20(12)13-6-4-5-7-13)16(21)18-10-14-8-9-17(2,3)22-14/h11,13-14H,4-10H2,1-3H3,(H,18,21)/t14-/m1/s1.
What are the key properties of 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 164630663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).