(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole

C24H32N2O2 — CID 100962790

IUPAC(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1=NN[C@@H](c2ccccc2)[C@@H]1c1ccco1
InChIInChI=1S/C24H32N2O2/c1-16(2)19-12-11-17(3)14-22(19)28-15-20-23(21-10-7-13-27-21)24(26-25-20)18-8-5-4-6-9-18/h4-10,13,16-17,19,22-24,26H,11-12,14-15H2,1-3H3/t17-,19+,22-,23+,24+/m1/s1
InChIKeyIJTXKLROHXEUJH-OTBWLPETSA-N
MW380.53 g/mol
LogP5.54
Rot. Bonds6

About (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole

(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 100962790) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID100962790
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1=NN[C@@H](c2ccccc2)[C@@H]1c1ccco1
InChIInChI=1S/C24H32N2O2/c1-16(2)19-12-11-17(3)14-22(19)28-15-20-23(21-10-7-13-27-21)24(26-25-20)18-8-5-4-6-9-18/h4-10,13,16-17,19,22-24,26H,11-12,14-15H2,1-3H3/t17-,19+,22-,23+,24+/m1/s1
InChIKeyIJTXKLROHXEUJH-OTBWLPETSA-N
XLogP5.54
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S,4R)-5-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-phenyl-3-trimethylsilyl-3,4-dihydropyrazole-2-carboxylate
CID 100962793
[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
CID 135004562
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CID 62571265
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan
CID 101001931
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-6-[2-[2-[2-[6-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]pyridine
CID 102271450
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
ethyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
CID 586507
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
2,6-bis[2-[6-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole (CID 100962790) is (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1=NN[C@@H](c2ccccc2)[C@@H]1c1ccco1.
What is the InChIKey of (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is IJTXKLROHXEUJH-OTBWLPETSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-16(2)19-12-11-17(3)14-22(19)28-15-20-23(21-10-7-13-27-21)24(26-25-20)18-8-5-4-6-9-18/h4-10,13,16-17,19,22-24,26H,11-12,14-15H2,1-3H3/t17-,19+,22-,23+,24+/m1/s1.
What are the key properties of (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole?
(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 380.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 100962790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).