N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide

C26H37N3O — CID 71189181

IUPACN-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1(C)C(C2=NN(C(=O)N[C@@]3(C)C4CCC3(C)CC4)CC2c2ccccc2)C1(C)C
InChIInChI=1S/C26H37N3O/c1-23(2)21(24(23,3)4)20-19(17-10-8-7-9-11-17)16-29(28-20)22(30)27-26(6)18-12-14-25(26,5)15-13-18/h7-11,18-19,21H,12-16H2,1-6H3,(H,27,30)/t18?,19?,25?,26-/m0/s1
InChIKeyVIVPMWSKMNTCOC-PTYYLFHFSA-N
MW407.60 g/mol
LogP5.80
Rot. Bonds3

About N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide

N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71189181) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID71189181
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC NameN-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1(C)C(C2=NN(C(=O)N[C@@]3(C)C4CCC3(C)CC4)CC2c2ccccc2)C1(C)C
InChIInChI=1S/C26H37N3O/c1-23(2)21(24(23,3)4)20-19(17-10-8-7-9-11-17)16-29(28-20)22(30)27-26(6)18-12-14-25(26,5)15-13-18/h7-11,18-19,21H,12-16H2,1-6H3,(H,27,30)/t18?,19?,25?,26-/m0/s1
InChIKeyVIVPMWSKMNTCOC-PTYYLFHFSA-N
XLogP5.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
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
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
4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide
CID 67068924
(E)-N-(1,7-dimethyl-7-bicyclo[2.2.1]heptanyl)-2-oxo-4-phenylbut-3-enamide
CID 89201066
5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 67068884
N-[(2R)-2-methyl-2-propan-2-ylcyclohexyl]-4-phenyl-5-(1-phenylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
CID 71184810
5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 58899503
5-(4-chlorophenyl)-N',N'-dimethyl-4-phenyl-3,4-dihydropyrazole-2-carbohydrazide
CID 50902304
5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 135164628
5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
CID 136562887

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 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) is N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide is CC1(C)C(C2=NN(C(=O)N[C@@]3(C)C4CCC3(C)CC4)CC2c2ccccc2)C1(C)C.
What is the InChIKey of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is VIVPMWSKMNTCOC-PTYYLFHFSA-N. The full InChI is InChI=1S/C26H37N3O/c1-23(2)21(24(23,3)4)20-19(17-10-8-7-9-11-17)16-29(28-20)22(30)27-26(6)18-12-14-25(26,5)15-13-18/h7-11,18-19,21H,12-16H2,1-6H3,(H,27,30)/t18?,19?,25?,26-/m0/s1.
What are the key properties of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide?
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 407.60 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71189181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).