1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine

C9H13N3 — CID 54075811

IUPAC1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2cn[nH]c2)CC1
InChIInChI=1S/C9H13N3/c1-12-4-2-8(3-5-12)9-6-10-11-7-9/h2,6-7H,3-5H2,1H3,(H,10,11)
InChIKeyMJOYVBLFVVJQTH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.13
Rot. Bonds1

About 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine

1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 54075811) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID54075811
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2cn[nH]c2)CC1
InChIInChI=1S/C9H13N3/c1-12-4-2-8(3-5-12)9-6-10-11-7-9/h2,6-7H,3-5H2,1H3,(H,10,11)
InChIKeyMJOYVBLFVVJQTH-UHFFFAOYSA-N
XLogP1.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
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4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole
CID 145324643
4-[(3S)-3,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole
CID 170114876
3,3-difluoro-4-(1H-pyrazol-4-yl)-2,6-dihydro-1H-pyridine;hydrochloride
CID 176308490
3,3-difluoro-4-(1H-pyrazol-4-yl)-2,6-dihydro-1H-pyridine
CID 176308491
N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine
CID 16640596
5-(4-iodo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19751513
3-(4-Hept-1-ynyl-1H-pyrazol-3-yl)-1,2,5,6-tetrahydro-1-methylpyridine
CID 25205200
3-(4-Hex-1-ynyl-1H-pyrazol-3-yl)-1,2,5,6-tetrahydro-1-methylpyridine
CID 25205205
1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine (CID 54075811) is 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine is CN1CC=C(c2cn[nH]c2)CC1.
What is the InChIKey of 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is MJOYVBLFVVJQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-4-2-8(3-5-12)9-6-10-11-7-9/h2,6-7H,3-5H2,1H3,(H,10,11).
What are the key properties of 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 54075811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).