10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C20H20N8O — CID 19571541

IUPAC10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCC(C)c1ccc(OCn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)cc1
InChIInChI=1S/C20H20N8O/c1-13(2)14-4-6-15(7-5-14)29-12-27-9-8-17(24-27)18-23-20-16-10-22-26(3)19(16)21-11-28(20)25-18/h4-11,13H,12H2,1-3H3
InChIKeyAZBSCJMVYRONIX-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.03
Rot. Bonds5

About 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 19571541) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID19571541
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCC(C)c1ccc(OCn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)cc1
InChIInChI=1S/C20H20N8O/c1-13(2)14-4-6-15(7-5-14)29-12-27-9-8-17(24-27)18-23-20-16-10-22-26(3)19(16)21-11-28(20)25-18/h4-11,13H,12H2,1-3H3
InChIKeyAZBSCJMVYRONIX-UHFFFAOYSA-N
XLogP3.03
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

4-[1-[(2-bromo-4-chlorophenoxy)methyl]pyrazol-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 17022535
4-[4-[(4-ethoxyphenoxy)methyl]phenyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777006
2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583401
10-methyl-4-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582522
4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571504
4-[2-(difluoromethoxy)phenyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4776831
10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571487
10-methyl-4-[3-(pyrazol-1-ylmethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777402
4-methoxy-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571476
4-methoxy-N-[(10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methyl]aniline
CID 19571523
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
CID 63316417
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777073

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 19571541) is 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is CC(C)c1ccc(OCn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)cc1.
What is the InChIKey of 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is AZBSCJMVYRONIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-13(2)14-4-6-15(7-5-14)29-12-27-9-8-17(24-27)18-23-20-16-10-22-26(3)19(16)21-11-28(20)25-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 388.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 19571541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).