1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide

C23H31N3O3 — CID 126798605

IUPAC1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCC2CCCCO2)c1C(=O)NCC1CC(c2ccccc2)C1
InChIInChI=1S/C23H31N3O3/c1-16-21(23(26(2)25-16)29-15-20-10-6-7-11-28-20)22(27)24-14-17-12-19(13-17)18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,6-7,10-15H2,1-2H3,(H,24,27)
InChIKeyWMRUNCGXPCTYHD-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.60
Rot. Bonds7

About 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide

1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide (PubChem CID 126798605) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
PubChem CID126798605
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCC2CCCCO2)c1C(=O)NCC1CC(c2ccccc2)C1
InChIInChI=1S/C23H31N3O3/c1-16-21(23(26(2)25-16)29-15-20-10-6-7-11-28-20)22(27)24-14-17-12-19(13-17)18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,6-7,10-15H2,1-2H3,(H,24,27)
InChIKeyWMRUNCGXPCTYHD-UHFFFAOYSA-N
XLogP3.60
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-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-[[4-(difluoromethyl)pyrimidin-2-yl]methyl]-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
CID 126805531
N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
CID 166342658
1,3-dimethyl-5-(oxolan-2-ylmethoxy)pyrazole-4-carbothioamide
CID 55242116
1,3-dimethyl-5-(oxolan-2-ylmethoxy)pyrazole-4-carbonitrile
CID 63751653
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42692723
5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 47182890
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(4-phenylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110039494
2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
CID 132971003
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 18160313

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide (CID 126798605) is 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(OCC2CCCCO2)c1C(=O)NCC1CC(c2ccccc2)C1.
What is the InChIKey of 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
The InChIKey is WMRUNCGXPCTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-21(23(26(2)25-16)29-15-20-10-6-7-11-28-20)22(27)24-14-17-12-19(13-17)18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,6-7,10-15H2,1-2H3,(H,24,27).
What are the key properties of 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 126798605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).