N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine

C24H27N5O — CID 42511621

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H27N5O/c1-4-29-15-14-25-23(29)18-27(2)16-20-17-28(3)26-24(20)19-10-12-22(13-11-19)30-21-8-6-5-7-9-21/h5-15,17H,4,16,18H2,1-3H3
InChIKeyFMJUJDZQLYDFJY-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.73
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 42511621) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID42511621
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H27N5O/c1-4-29-15-14-25-23(29)18-27(2)16-20-17-28(3)26-24(20)19-10-12-22(13-11-19)30-21-8-6-5-7-9-21/h5-15,17H,4,16,18H2,1-3H3
InChIKeyFMJUJDZQLYDFJY-UHFFFAOYSA-N
XLogP4.73
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine (CID 42511621) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine is CCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is FMJUJDZQLYDFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-4-29-15-14-25-23(29)18-27(2)16-20-17-28(3)26-24(20)19-10-12-22(13-11-19)30-21-8-6-5-7-9-21/h5-15,17H,4,16,18H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine has a molecular weight of 401.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 42511621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).