N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C24H26N4O3 — CID 60578338

IUPACN-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cnn1-c1ccccn1
InChIInChI=1S/C24H26N4O3/c1-17-19(14-27-28(17)22-7-3-6-12-25-22)23(29)26-15-24(10-4-2-5-11-24)18-8-9-20-21(13-18)31-16-30-20/h3,6-9,12-14H,2,4-5,10-11,15-16H2,1H3,(H,26,29)
InChIKeySRNIHJYYABNOAC-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.94
Rot. Bonds5

About N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 60578338) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID60578338
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cnn1-c1ccccn1
InChIInChI=1S/C24H26N4O3/c1-17-19(14-27-28(17)22-7-3-6-12-25-22)23(29)26-15-24(10-4-2-5-11-24)18-8-9-20-21(13-18)31-16-30-20/h3,6-9,12-14H,2,4-5,10-11,15-16H2,1H3,(H,26,29)
InChIKeySRNIHJYYABNOAC-UHFFFAOYSA-N
XLogP3.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42937782
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39821356
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46418035
4-acetyl-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 60578105
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide
CID 47874077
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 60577994
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
2-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide
CID 119944971

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 60578338) is N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cnn1-c1ccccn1.
What is the InChIKey of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is SRNIHJYYABNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-19(14-27-28(17)22-7-3-6-12-25-22)23(29)26-15-24(10-4-2-5-11-24)18-8-9-20-21(13-18)31-16-30-20/h3,6-9,12-14H,2,4-5,10-11,15-16H2,1H3,(H,26,29).
What are the key properties of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60578338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).