5-chloro-4-pyrrolidin-2-yl-1H-pyrazole

C7H10ClN3 — CID 84766127

IUPAC5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
SMILESClc1[nH]ncc1C1CCCN1
InChIInChI=1S/C7H10ClN3/c8-7-5(4-10-11-7)6-2-1-3-9-6/h4,6,9H,1-3H2,(H,10,11)
InChIKeyZZBNHHFILHFNQY-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.49
Rot. Bonds1

About 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole

5-chloro-4-pyrrolidin-2-yl-1H-pyrazole (PubChem CID 84766127) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
PubChem CID84766127
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
SMILESClc1[nH]ncc1C1CCCN1
InChIInChI=1S/C7H10ClN3/c8-7-5(4-10-11-7)6-2-1-3-9-6/h4,6,9H,1-3H2,(H,10,11)
InChIKeyZZBNHHFILHFNQY-UHFFFAOYSA-N
XLogP1.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
CID 115018789
2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
CID 130721860
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654
2-(3-chloro-4-pyridinyl)azepane
CID 4542495
4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 115046230
(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine
CID 130648179
3-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568
2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
CID 130624671
2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
CID 130144513
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 131072200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole?
The IUPAC name of 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole (CID 84766127) is 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole.
What is the SMILES notation for 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole?
The canonical SMILES for 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole is Clc1[nH]ncc1C1CCCN1.
What is the InChIKey of 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole?
The InChIKey is ZZBNHHFILHFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c8-7-5(4-10-11-7)6-2-1-3-9-6/h4,6,9H,1-3H2,(H,10,11).
What are the key properties of 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole?
5-chloro-4-pyrrolidin-2-yl-1H-pyrazole has a molecular weight of 171.63 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-pyrrolidin-2-yl-1H-pyrazole is sourced from PubChem (CID 84766127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).