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

C23H34N4O — CID 58899503

IUPAC5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1c1cccnc1
InChIInChI=1S/C23H34N4O/c1-5-6-9-19-18(16-8-7-12-24-14-16)15-27(26-19)21(28)25-20-13-17-10-11-23(20,4)22(17,2)3/h7-8,12,14,17-18,20H,5-6,9-11,13,15H2,1-4H3,(H,25,28)/t17-,18?,20-,23-/m0/s1
InChIKeyCRGUWYZVJCFACH-XLIBJESPSA-N
MW382.55 g/mol
LogP4.95
Rot. Bonds5

About 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

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 (PubChem CID 58899503) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID58899503
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1c1cccnc1
InChIInChI=1S/C23H34N4O/c1-5-6-9-19-18(16-8-7-12-24-14-16)15-27(26-19)21(28)25-20-13-17-10-11-23(20,4)22(17,2)3/h7-8,12,14,17-18,20H,5-6,9-11,13,15H2,1-4H3,(H,25,28)/t17-,18?,20-,23-/m0/s1
InChIKeyCRGUWYZVJCFACH-XLIBJESPSA-N
XLogP4.95
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

5-butyl-4-pyridin-3-yl-N-[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863951
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
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
CID 81257647
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
5,5-dimethyl-4-phenyl-3-(3,3,3-trifluoropropyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-4H-pyrazole-1-carboxamide
CID 59864963
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 98285519
5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76683038
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 17451568
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 24863614
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC1=NN(C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1c1cccnc1.
What is the InChIKey of 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?
The InChIKey is CRGUWYZVJCFACH-XLIBJESPSA-N. The full InChI is InChI=1S/C23H34N4O/c1-5-6-9-19-18(16-8-7-12-24-14-16)15-27(26-19)21(28)25-20-13-17-10-11-23(20,4)22(17,2)3/h7-8,12,14,17-18,20H,5-6,9-11,13,15H2,1-4H3,(H,25,28)/t17-,18?,20-,23-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 382.55 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).