5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine

C21H18N4 — CID 168965374

IUPAC5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cn2ccc(-c3cccc(-c4ccccc4)c3)n2)cn1
InChIInChI=1S/C21H18N4/c22-21-10-9-16(14-23-21)15-25-12-11-20(24-25)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-14H,15H2,(H2,22,23)
InChIKeyLSRNPNRAZSJEMR-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.24
Rot. Bonds4

About 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine

5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine (PubChem CID 168965374) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
PubChem CID168965374
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cn2ccc(-c3cccc(-c4ccccc4)c3)n2)cn1
InChIInChI=1S/C21H18N4/c22-21-10-9-16(14-23-21)15-25-12-11-20(24-25)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-14H,15H2,(H2,22,23)
InChIKeyLSRNPNRAZSJEMR-UHFFFAOYSA-N
XLogP4.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
CID 169043311
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
3-[1-(2-aminoethyl)pyrazol-3-yl]aniline
CID 91614982
2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
CID 137461204
5-[[3-(3,5-difluoro-4-methylphenyl)pyrazol-1-yl]methyl]-2-fluoropyridine
CID 175294607
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 28664911
2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
CID 168965601
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823
2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline
CID 28666339
4-[[3-(4-chlorophenyl)pyrazol-1-yl]methyl]aniline
CID 142784777

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine (CID 168965374) is 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine is Nc1ccc(Cn2ccc(-c3cccc(-c4ccccc4)c3)n2)cn1.
What is the InChIKey of 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine?
The InChIKey is LSRNPNRAZSJEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c22-21-10-9-16(14-23-21)15-25-12-11-20(24-25)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-14H,15H2,(H2,22,23).
What are the key properties of 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine?
5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 168965374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).