4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine

C15H14N4 — CID 107331174

IUPAC4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESNc1cc(Cc2ccnn2-c2ccccc2)ccn1
InChIInChI=1S/C15H14N4/c16-15-11-12(6-8-17-15)10-14-7-9-18-19(14)13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,16,17)
InChIKeyBBWRNCSGFDRYIM-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.44
Rot. Bonds3

About 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine

4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 107331174) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID107331174
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESNc1cc(Cc2ccnn2-c2ccccc2)ccn1
InChIInChI=1S/C15H14N4/c16-15-11-12(6-8-17-15)10-14-7-9-18-19(14)13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,16,17)
InChIKeyBBWRNCSGFDRYIM-UHFFFAOYSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-1-phenylpyrazole
CID 14003889
5-(methoxymethyl)-1-phenylpyrazole
CID 13434116
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
CID 62472016
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
ethane;4-ethylpyridin-2-amine
CID 144736585
4-[[3-(methoxymethyl)-1-phenylindazol-7-yl]oxymethyl]pyridin-2-amine
CID 150873063
4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
CID 114663323
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
2-phenyl-3-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107331496
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine (CID 107331174) is 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine is Nc1cc(Cc2ccnn2-c2ccccc2)ccn1.
What is the InChIKey of 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is BBWRNCSGFDRYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-15-11-12(6-8-17-15)10-14-7-9-18-19(14)13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,16,17).
What are the key properties of 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 250.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 107331174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).