N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline

C20H19N5O — CID 146095566

IUPACN-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
SMILESCOc1ccc(-n2cc(CNc3cccc(-n4cccn4)c3)cn2)cc1
InChIInChI=1S/C20H19N5O/c1-26-20-8-6-18(7-9-20)25-15-16(14-23-25)13-21-17-4-2-5-19(12-17)24-11-3-10-22-24/h2-12,14-15,21H,13H2,1H3
InChIKeyGDLFLQWCKXSLSS-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.68
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline

N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline (PubChem CID 146095566) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
PubChem CID146095566
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
SMILESCOc1ccc(-n2cc(CNc3cccc(-n4cccn4)c3)cn2)cc1
InChIInChI=1S/C20H19N5O/c1-26-20-8-6-18(7-9-20)25-15-16(14-23-25)13-21-17-4-2-5-19(12-17)24-11-3-10-22-24/h2-12,14-15,21H,13H2,1H3
InChIKeyGDLFLQWCKXSLSS-UHFFFAOYSA-N
XLogP3.68
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
CID 104756598
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
3-pyrazol-1-yl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109620
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine
CID 157016460
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline (CID 146095566) is N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline is COc1ccc(-n2cc(CNc3cccc(-n4cccn4)c3)cn2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline?
The InChIKey is GDLFLQWCKXSLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-20-8-6-18(7-9-20)25-15-16(14-23-25)13-21-17-4-2-5-19(12-17)24-11-3-10-22-24/h2-12,14-15,21H,13H2,1H3.
What are the key properties of N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline?
N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline has a molecular weight of 345.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline is sourced from PubChem (CID 146095566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).