N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline

C16H16N4 — CID 81313287

IUPACN-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccc(CNc2cccc(-c3ccn[nH]3)c2)nc1
InChIInChI=1S/C16H16N4/c1-12-5-6-15(17-10-12)11-18-14-4-2-3-13(9-14)16-7-8-19-20-16/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyMQXABDBJAMIDPF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 81313287) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID81313287
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccc(CNc2cccc(-c3ccn[nH]3)c2)nc1
InChIInChI=1S/C16H16N4/c1-12-5-6-15(17-10-12)11-18-14-4-2-3-13(9-14)16-7-8-19-20-16/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyMQXABDBJAMIDPF-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 81313287) is N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline is Cc1ccc(CNc2cccc(-c3ccn[nH]3)c2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is MQXABDBJAMIDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-5-6-15(17-10-12)11-18-14-4-2-3-13(9-14)16-7-8-19-20-16/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 81313287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).