(5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H38N4O — CID 136507289

IUPAC(5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(CC)(CC)NC(=O)c1c(C)nn2c1N[C@@H](C1C=CC=CC1)CC2(C)C
InChIInChI=1S/C24H38N4O/c1-7-15-24(8-2,9-3)26-22(29)20-17(4)27-28-21(20)25-19(16-23(28,5)6)18-13-11-10-12-14-18/h10-13,18-19,25H,7-9,14-16H2,1-6H3,(H,26,29)/t18?,19-/m1/s1
InChIKeyZBCYZFVIVRSDQR-MUMRKEEXSA-N
MW398.60 g/mol
LogP5.33
Rot. Bonds7

About (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

(5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136507289) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136507289
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name(5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(CC)(CC)NC(=O)c1c(C)nn2c1N[C@@H](C1C=CC=CC1)CC2(C)C
InChIInChI=1S/C24H38N4O/c1-7-15-24(8-2,9-3)26-22(29)20-17(4)27-28-21(20)25-19(16-23(28,5)6)18-13-11-10-12-14-18/h10-13,18-19,25H,7-9,14-16H2,1-6H3,(H,26,29)/t18?,19-/m1/s1
InChIKeyZBCYZFVIVRSDQR-MUMRKEEXSA-N
XLogP5.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

(5R)-2,7,7-trimethyl-5-phenyl-N-(3-phenylpentan-3-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136030702
US10118930, Example 317
CID 137018316
US10118930, Example 420
CID 137018362
US10118930, Example 421
CID 137018363
US10118930, Example 422
CID 137018364
US10118930, Example 432
CID 137018384
US10118930, Example 434
CID 137018387
US10118930, Example 319
CID 137018405
US10118930, Example 401
CID 137018408
US10118930, Example 400
CID 137018413
US10118930, Example 399
CID 137018415
US10118930, Example 411
CID 137018463

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136507289) is (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCC(CC)(CC)NC(=O)c1c(C)nn2c1N[C@@H](C1C=CC=CC1)CC2(C)C.
What is the InChIKey of (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZBCYZFVIVRSDQR-MUMRKEEXSA-N. The full InChI is InChI=1S/C24H38N4O/c1-7-15-24(8-2,9-3)26-22(29)20-17(4)27-28-21(20)25-19(16-23(28,5)6)18-13-11-10-12-14-18/h10-13,18-19,25H,7-9,14-16H2,1-6H3,(H,26,29)/t18?,19-/m1/s1.
What are the key properties of (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohexa-2,4-dien-1-yl-N-(3-ethylhexan-3-yl)-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136507289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).