3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine

C12H13ClN4 — CID 126946420

IUPAC3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
SMILESClc1cnccc1N1CCC(n2cccn2)C1
InChIInChI=1S/C12H13ClN4/c13-11-8-14-5-2-12(11)16-7-3-10(9-16)17-6-1-4-15-17/h1-2,4-6,8,10H,3,7,9H2
InChIKeyOCLXKRBKXFXYDX-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.38
Rot. Bonds2

About 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine

3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine (PubChem CID 126946420) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
PubChem CID126946420
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
SMILESClc1cnccc1N1CCC(n2cccn2)C1
InChIInChI=1S/C12H13ClN4/c13-11-8-14-5-2-12(11)16-7-3-10(9-16)17-6-1-4-15-17/h1-2,4-6,8,10H,3,7,9H2
InChIKeyOCLXKRBKXFXYDX-UHFFFAOYSA-N
XLogP2.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 166600645
3-chloro-4-(3-methylazetidin-1-yl)pyridine
CID 142532055
1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
CID 81460923
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 122147269
3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
CID 80674261
1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893375
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine (CID 126946420) is 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine is Clc1cnccc1N1CCC(n2cccn2)C1.
What is the InChIKey of 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine?
The InChIKey is OCLXKRBKXFXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-11-8-14-5-2-12(11)16-7-3-10(9-16)17-6-1-4-15-17/h1-2,4-6,8,10H,3,7,9H2.
What are the key properties of 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine?
3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine has a molecular weight of 248.72 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 126946420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).