(1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H21N3O — CID 134697458

IUPAC(1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C15H21N3O/c1-4-12-9(2)17-18(3)14(12)16-15(19)13-8-10-5-6-11(13)7-10/h5-6,10-11,13H,4,7-8H2,1-3H3,(H,16,19)/t10-,11+,13-/m1/s1
InChIKeyPRXNDUJLEQTHIC-NTZNESFSSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds3

About (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 134697458) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID134697458
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C15H21N3O/c1-4-12-9(2)17-18(3)14(12)16-15(19)13-8-10-5-6-11(13)7-10/h5-6,10-11,13H,4,7-8H2,1-3H3,(H,16,19)/t10-,11+,13-/m1/s1
InChIKeyPRXNDUJLEQTHIC-NTZNESFSSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796439
N-(3-cyclopentyl-1-methylpyrazol-5-yl)cyclopropanecarboxamide
CID 134796660
N-(3-cyclopentyl-1-methylpyrazol-5-yl)butanamide
CID 134796718
N-(3-cyclopropyl-1-methylpyrazol-5-yl)cyclopentanecarboxamide
CID 134797143
N-(3-cyclopentyl-1-methylpyrazol-5-yl)acetamide
CID 134797604
N-(3-cyclopentyl-1-methylpyrazol-5-yl)cyclopentanecarboxamide
CID 134800148
N-(5-Cyclobutyl-2-methylpyrazol-3-YL)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71916475
(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 164633113
trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 164639492
(3R)-N-[4-cyclobutyl-3-(cyclohexa-2,4-dien-1-ylmethyl)-1-methylpyrazol-5-yl]-4,4,5,5-tetrafluoro-3-methylhexanamide
CID 170134383
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohex-3-ene-1-carboxamide
CID 121568150

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 134697458) is (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CCc1c(C)nn(C)c1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is PRXNDUJLEQTHIC-NTZNESFSSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12-9(2)17-18(3)14(12)16-15(19)13-8-10-5-6-11(13)7-10/h5-6,10-11,13H,4,7-8H2,1-3H3,(H,16,19)/t10-,11+,13-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 134697458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).