2-deuterio-4-(1-methylpyrazol-4-yl)pyridine

C9H9N3 — CID 175847342

IUPAC2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
SMILES[2H]c1cc(-c2cnn(C)c2)ccn1
InChIInChI=1S/C9H9N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h2-7H,1H3/i4D
InChIKeyFJJQOGZWCRKCKM-QYKNYGDISA-N
MW160.20 g/mol
LogP1.48
Rot. Bonds1

About 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine

2-deuterio-4-(1-methylpyrazol-4-yl)pyridine (PubChem CID 175847342) has the molecular formula C9H9N3 and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
PubChem CID175847342
Molecular FormulaC9H9N3
Molecular Weight160.20 g/mol
Exact Mass160.09
IUPAC Name2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
SMILES[2H]c1cc(-c2cnn(C)c2)ccn1
InChIInChI=1S/C9H9N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h2-7H,1H3/i4D
InChIKeyFJJQOGZWCRKCKM-QYKNYGDISA-N
XLogP1.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
CID 58016351
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
[6-(1-methylpyrazol-4-yl)-2-pyridin-4-ylpyrimidin-4-yl]hydrazine
CID 106716187
1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400777

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine (CID 175847342) is 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine is [2H]c1cc(-c2cnn(C)c2)ccn1.
What is the InChIKey of 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is FJJQOGZWCRKCKM-QYKNYGDISA-N. The full InChI is InChI=1S/C9H9N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h2-7H,1H3/i4D.
What are the key properties of 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine?
2-deuterio-4-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 160.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 175847342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).