2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride

C14H19ClN4 — CID 168965474

IUPAC2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride
SMILESCc1cc(-c2ccn(C)n2)c(C2CCNC2)cn1.Cl
InChIInChI=1S/C14H18N4.ClH/c1-10-7-12(14-4-6-18(2)17-14)13(9-16-10)11-3-5-15-8-11;/h4,6-7,9,11,15H,3,5,8H2,1-2H3;1H
InChIKeyHNYZACHGBUGOLU-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride

2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride (PubChem CID 168965474) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride
PubChem CID168965474
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride
SMILESCc1cc(-c2ccn(C)n2)c(C2CCNC2)cn1.Cl
InChIInChI=1S/C14H18N4.ClH/c1-10-7-12(14-4-6-18(2)17-14)13(9-16-10)11-3-5-15-8-11;/h4,6-7,9,11,15H,3,5,8H2,1-2H3;1H
InChIKeyHNYZACHGBUGOLU-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
CID 168965117
1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
CID 79583940
N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 129050244
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
2-methyl-8-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83832036
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
chromium;1,3-dimethylpyrazole
CID 174318008
3-[4-(1-methylpyrazol-3-yl)-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-3-pyridinyl]borolane-1-carbonitrile
CID 168965052
3-[2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46205703
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride (CID 168965474) is 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride is Cc1cc(-c2ccn(C)n2)c(C2CCNC2)cn1.Cl.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride?
The InChIKey is HNYZACHGBUGOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.ClH/c1-10-7-12(14-4-6-18(2)17-14)13(9-16-10)11-3-5-15-8-11;/h4,6-7,9,11,15H,3,5,8H2,1-2H3;1H.
What are the key properties of 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride?
2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride has a molecular weight of 278.79 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-3-yl)-5-pyrrolidin-3-ylpyridine;hydrochloride is sourced from PubChem (CID 168965474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).