3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide

C24H27N3O4 — CID 71707663

IUPAC3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3(c4ccc(OC)cc4)CCOCC3)[nH]n2)cc1
InChIInChI=1S/C24H27N3O4/c1-29-19-7-3-17(4-8-19)21-15-22(27-26-21)23(28)25-16-24(11-13-31-14-12-24)18-5-9-20(30-2)10-6-18/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyDLKRDVDCCLLVSA-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.57
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 71707663) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID71707663
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3(c4ccc(OC)cc4)CCOCC3)[nH]n2)cc1
InChIInChI=1S/C24H27N3O4/c1-29-19-7-3-17(4-8-19)21-15-22(27-26-21)23(28)25-16-24(11-13-31-14-12-24)18-5-9-20(30-2)10-6-18/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyDLKRDVDCCLLVSA-UHFFFAOYSA-N
XLogP3.57
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71709201
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95719731
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide (CID 71707663) is 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC3(c4ccc(OC)cc4)CCOCC3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DLKRDVDCCLLVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-19-7-3-17(4-8-19)21-15-22(27-26-21)23(28)25-16-24(11-13-31-14-12-24)18-5-9-20(30-2)10-6-18/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71707663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).