(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide

C15H21N3O — CID 129354971

IUPAC(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)[C@H]1CC=CCC1
InChIInChI=1S/C15H21N3O/c19-15(12-6-2-1-3-7-12)16-10-13-11-17-18-9-5-4-8-14(13)18/h1-2,11-12H,3-10H2,(H,16,19)/t12-/m0/s1
InChIKeyQDNCSCVDEBKJHW-LBPRGKRZSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds3

About (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 129354971) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
PubChem CID129354971
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)[C@H]1CC=CCC1
InChIInChI=1S/C15H21N3O/c19-15(12-6-2-1-3-7-12)16-10-13-11-17-18-9-5-4-8-14(13)18/h1-2,11-12H,3-10H2,(H,16,19)/t12-/m0/s1
InChIKeyQDNCSCVDEBKJHW-LBPRGKRZSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide (CID 129354971) is (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide is O=C(NCc1cnn2c1CCCC2)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is QDNCSCVDEBKJHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(12-6-2-1-3-7-12)16-10-13-11-17-18-9-5-4-8-14(13)18/h1-2,11-12H,3-10H2,(H,16,19)/t12-/m0/s1.
What are the key properties of (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 129354971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).