N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline

C17H16FN3 — CID 43693889

IUPACN-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESFc1ccccc1CNc1ccccc1Cn1cccn1
InChIInChI=1S/C17H16FN3/c18-16-8-3-1-6-14(16)12-19-17-9-4-2-7-15(17)13-21-11-5-10-20-21/h1-11,19H,12-13H2
InChIKeyCXNRCVZSBFZAQV-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.68
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline

N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 43693889) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
PubChem CID43693889
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESFc1ccccc1CNc1ccccc1Cn1cccn1
InChIInChI=1S/C17H16FN3/c18-16-8-3-1-6-14(16)12-19-17-9-4-2-7-15(17)13-21-11-5-10-20-21/h1-11,19H,12-13H2
InChIKeyCXNRCVZSBFZAQV-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614
3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
CID 43693851
N-[(4-chlorothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 79419714
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
4-bromo-2-fluoro-6-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]benzamide
CID 133440634
N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 107235050
N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 79708171
2-[[2-(pyrazol-1-ylmethyl)anilino]methylidene]propanedinitrile
CID 168545313
2-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311958
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
CID 43693822
N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296642

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline (CID 43693889) is N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline is Fc1ccccc1CNc1ccccc1Cn1cccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is CXNRCVZSBFZAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-16-8-3-1-6-14(16)12-19-17-9-4-2-7-15(17)13-21-11-5-10-20-21/h1-11,19H,12-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 281.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 43693889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).