(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide

C13H19N3O2 — CID 100759262

IUPAC(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCn1nc2c(c1CNC(=O)[C@H]1CCOC1)CCC2
InChIInChI=1S/C13H19N3O2/c1-16-12(10-3-2-4-11(10)15-16)7-14-13(17)9-5-6-18-8-9/h9H,2-8H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeySPFCKHFZBGGFGT-VIFPVBQESA-N
MW249.31 g/mol
LogP0.56
Rot. Bonds3

About (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 100759262) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
PubChem CID100759262
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCn1nc2c(c1CNC(=O)[C@H]1CCOC1)CCC2
InChIInChI=1S/C13H19N3O2/c1-16-12(10-3-2-4-11(10)15-16)7-14-13(17)9-5-6-18-8-9/h9H,2-8H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeySPFCKHFZBGGFGT-VIFPVBQESA-N
XLogP0.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 124875006
3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide
CID 138012340
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)cyclopropanecarboxamide
CID 91819369
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)tetrahydrofuran-3-carboxamide
CID 91819392
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]tetrahydro-3-furancarboxamide
CID 45194061
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838
Oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86768841
2-cyclopropyl-N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)acetamide
CID 91819388
N-(2-(1,5-dimethyl-1H-pyrazol-3-yl)ethyl)tetrahydrofuran-3-carboxamide
CID 92109219
Ethyl 4-(cyclopentyl((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)amino)-4-oxobutanoate
CID 92109743
N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)tetrahydro-2H-pyran-4-carboxamide
CID 92109912
N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)tetrahydrofuran-3-carboxamide
CID 92109946

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide (CID 100759262) is (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide is Cn1nc2c(c1CNC(=O)[C@H]1CCOC1)CCC2.
What is the InChIKey of (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is SPFCKHFZBGGFGT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-12(10-3-2-4-11(10)15-16)7-14-13(17)9-5-6-18-8-9/h9H,2-8H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 100759262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).