N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide

C29H37N3O — CID 71184810

IUPACN-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)[C@@]1(C)CCCCC1NC(=O)N1CC(c2ccccc2)C(C2(c3ccccc3)CC2)=N1
InChIInChI=1S/C29H37N3O/c1-21(2)28(3)17-11-10-16-25(28)30-27(33)32-20-24(22-12-6-4-7-13-22)26(31-32)29(18-19-29)23-14-8-5-9-15-23/h4-9,12-15,21,24-25H,10-11,16-20H2,1-3H3,(H,30,33)/t24?,25?,28-/m1/s1
InChIKeyPRFRQKRDWGUYAA-YGBRCLJQSA-N
MW443.64 g/mol
LogP6.49
Rot. Bonds5

About N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide

N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71184810) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID71184810
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC NameN-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)[C@@]1(C)CCCCC1NC(=O)N1CC(c2ccccc2)C(C2(c3ccccc3)CC2)=N1
InChIInChI=1S/C29H37N3O/c1-21(2)28(3)17-11-10-16-25(28)30-27(33)32-20-24(22-12-6-4-7-13-22)26(31-32)29(18-19-29)23-14-8-5-9-15-23/h4-9,12-15,21,24-25H,10-11,16-20H2,1-3H3,(H,30,33)/t24?,25?,28-/m1/s1
InChIKeyPRFRQKRDWGUYAA-YGBRCLJQSA-N
XLogP6.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
CID 71189181
5-pentyl-4-phenyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 157413579
1-benzyl-3-(2,2-dimethylcyclohexyl)urea
CID 103751631
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 67068884
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 75397417
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010655
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
CID 79870022
N-(1,7-dimethyl-7-bicyclo[2.2.1]heptanyl)-4-phenyl-5-(4,4,4-trifluoro-1-methoxybutan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 71189182
N-(2,2-dimethylcyclohexyl)-1-phenylimidazol-2-amine
CID 106576686

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide (CID 71184810) is N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide is CC(C)[C@@]1(C)CCCCC1NC(=O)N1CC(c2ccccc2)C(C2(c3ccccc3)CC2)=N1.
What is the InChIKey of N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PRFRQKRDWGUYAA-YGBRCLJQSA-N. The full InChI is InChI=1S/C29H37N3O/c1-21(2)28(3)17-11-10-16-25(28)30-27(33)32-20-24(22-12-6-4-7-13-22)26(31-32)29(18-19-29)23-14-8-5-9-15-23/h4-9,12-15,21,24-25H,10-11,16-20H2,1-3H3,(H,30,33)/t24?,25?,28-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 443.64 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71184810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).