N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine

C30H27N3O2 — CID 153410207

IUPACN-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine
SMILESCOc1ccc(CNc2cc(-c3ccccc3)n(-c3ccccc3-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C30H27N3O2/c1-34-25-16-12-22(13-17-25)21-31-30-20-29(24-8-4-3-5-9-24)33(32-30)28-11-7-6-10-27(28)23-14-18-26(35-2)19-15-23/h3-20H,21H2,1-2H3,(H,31,32)
InChIKeyKIYMLRFMHDTCPW-UHFFFAOYSA-N
MW461.57 g/mol
LogP6.84
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine

N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine (PubChem CID 153410207) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine
PubChem CID153410207
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine
SMILESCOc1ccc(CNc2cc(-c3ccccc3)n(-c3ccccc3-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C30H27N3O2/c1-34-25-16-12-22(13-17-25)21-31-30-20-29(24-8-4-3-5-9-24)33(32-30)28-11-7-6-10-27(28)23-14-18-26(35-2)19-15-23/h3-20H,21H2,1-2H3,(H,31,32)
InChIKeyKIYMLRFMHDTCPW-UHFFFAOYSA-N
XLogP6.84
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole
CID 174958210
4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine
CID 175381688
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
CID 110924499
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine (CID 153410207) is N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine is COc1ccc(CNc2cc(-c3ccccc3)n(-c3ccccc3-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine?
The InChIKey is KIYMLRFMHDTCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-34-25-16-12-22(13-17-25)21-31-30-20-29(24-8-4-3-5-9-24)33(32-30)28-11-7-6-10-27(28)23-14-18-26(35-2)19-15-23/h3-20H,21H2,1-2H3,(H,31,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine?
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine has a molecular weight of 461.57 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine is sourced from PubChem (CID 153410207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).