(2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide

C22H29N3O2 — CID 99874155

IUPAC(2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1nn(C2CCCC2)c2c1COCC2)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-2-18(16-8-4-3-5-9-16)22(26)23-14-20-19-15-27-13-12-21(19)25(24-20)17-10-6-7-11-17/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyPSCHYOMYMPBTRD-GOSISDBHSA-N
MW367.49 g/mol
LogP3.88
Rot. Bonds6

About (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide

(2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide (PubChem CID 99874155) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide
PubChem CID99874155
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1nn(C2CCCC2)c2c1COCC2)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-2-18(16-8-4-3-5-9-16)22(26)23-14-20-19-15-27-13-12-21(19)25(24-20)17-10-6-7-11-17/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyPSCHYOMYMPBTRD-GOSISDBHSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide with MolForge

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Related Compounds

CID 139451388
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CID 71808480
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CID 71808490
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CID 71808511
CID 71808511
CID 76148412
CID 76148412
CID 91905681
CID 91905681
CID 91915288
CID 91915288
CID 91915289
CID 91915289
CID 91915292
CID 91915292
CID 91915293
CID 91915293
CID 91915316
CID 91915316

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide (CID 99874155) is (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCc1nn(C2CCCC2)c2c1COCC2)c1ccccc1.
What is the InChIKey of (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide?
The InChIKey is PSCHYOMYMPBTRD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-18(16-8-4-3-5-9-16)22(26)23-14-20-19-15-27-13-12-21(19)25(24-20)17-10-6-7-11-17/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide?
(2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide has a molecular weight of 367.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 99874155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).