(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H17N3OS — CID 134707303

IUPAC(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCn1nc2c(c1NC(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CSC2
InChIInChI=1S/C14H17N3OS/c1-17-13(11-6-19-7-12(11)16-17)15-14(18)10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-7H2,1H3,(H,15,18)/t8-,9+,10+/m1/s1
InChIKeyLUDVAYMRITXOIA-UTLUCORTSA-N
MW275.38 g/mol
LogP2.32
Rot. Bonds2

About (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 134707303) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID134707303
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCn1nc2c(c1NC(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CSC2
InChIInChI=1S/C14H17N3OS/c1-17-13(11-6-19-7-12(11)16-17)15-14(18)10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-7H2,1H3,(H,15,18)/t8-,9+,10+/m1/s1
InChIKeyLUDVAYMRITXOIA-UTLUCORTSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 134707303) is (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cn1nc2c(c1NC(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CSC2.
What is the InChIKey of (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is LUDVAYMRITXOIA-UTLUCORTSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17-13(11-6-19-7-12(11)16-17)15-14(18)10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-7H2,1H3,(H,15,18)/t8-,9+,10+/m1/s1.
What are the key properties of (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 134707303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).