(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

C20H24N4O — CID 97427522

IUPAC(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccccn2)cc1C1CC1)[C@H]1CC=CCC1
InChIInChI=1S/C20H24N4O/c25-20(16-6-2-1-3-7-16)22-12-13-24-19(15-9-10-15)14-18(23-24)17-8-4-5-11-21-17/h1-2,4-5,8,11,14-16H,3,6-7,9-10,12-13H2,(H,22,25)/t16-/m0/s1
InChIKeyCJPFDHABJBCZAJ-INIZCTEOSA-N
MW336.44 g/mol
LogP3.30
Rot. Bonds6

About (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 97427522) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID97427522
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccccn2)cc1C1CC1)[C@H]1CC=CCC1
InChIInChI=1S/C20H24N4O/c25-20(16-6-2-1-3-7-16)22-12-13-24-19(15-9-10-15)14-18(23-24)17-8-4-5-11-21-17/h1-2,4-5,8,11,14-16H,3,6-7,9-10,12-13H2,(H,22,25)/t16-/m0/s1
InChIKeyCJPFDHABJBCZAJ-INIZCTEOSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 72718771
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 90542051
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 125025582
(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 92577959
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 119102738
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119102746
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97417285
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxyacetamide
CID 119102754
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 97427522) is (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CJPFDHABJBCZAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(16-6-2-1-3-7-16)22-12-13-24-19(15-9-10-15)14-18(23-24)17-8-4-5-11-21-17/h1-2,4-5,8,11,14-16H,3,6-7,9-10,12-13H2,(H,22,25)/t16-/m0/s1.
What are the key properties of (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 97427522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).