4-chloro-1-pyrrolidin-3-ylpyrazole

C7H10ClN3 — CID 62329636

IUPAC4-chloro-1-pyrrolidin-3-ylpyrazole
SMILESClc1cnn(C2CCNC2)c1
InChIInChI=1S/C7H10ClN3/c8-6-3-10-11(5-6)7-1-2-9-4-7/h3,5,7,9H,1-2,4H2
InChIKeyHBUCZWOEPGBHOO-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.07
Rot. Bonds1

About 4-chloro-1-pyrrolidin-3-ylpyrazole

4-chloro-1-pyrrolidin-3-ylpyrazole (PubChem CID 62329636) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name4-chloro-1-pyrrolidin-3-ylpyrazole
PubChem CID62329636
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name4-chloro-1-pyrrolidin-3-ylpyrazole
SMILESClc1cnn(C2CCNC2)c1
InChIInChI=1S/C7H10ClN3/c8-6-3-10-11(5-6)7-1-2-9-4-7/h3,5,7,9H,1-2,4H2
InChIKeyHBUCZWOEPGBHOO-UHFFFAOYSA-N
XLogP1.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-1H-pyrazol-1-yl)propan-1-amine
CID 19619542
2-(4-chloro-1H-pyrazol-1-yl)ethanamine
CID 7019315
1-(pyrrolidin-3-yl)-1H-pyrazole
CID 46318284
4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole
CID 62329635
4-(4-chloro-1H-pyrazol-1-yl)piperidine
CID 61685214
4-Chloro-beta-methyl-1H-pyrazole-1-propanamine
CID 19616568
3-(4-chloro-1H-pyrazol-1-yl)butanethioamide
CID 19616577
4-(4-chloro-1H-pyrazol-1-yl)piperidine hydrochloride
CID 71758511
1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine
CID 91830851
4-methyl-1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 54592630
[3-(4-chloro-1H-pyrazol-1-yl)propyl]amine hydrochloride
CID 50944292
[3-(4-Chloro-1H-pyrazol-1-YL)propyl]amine dihydrochloride
CID 54759003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 4-chloro-1-pyrrolidin-3-ylpyrazole (CID 62329636) is 4-chloro-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 4-chloro-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 4-chloro-1-pyrrolidin-3-ylpyrazole is Clc1cnn(C2CCNC2)c1.
What is the InChIKey of 4-chloro-1-pyrrolidin-3-ylpyrazole?
The InChIKey is HBUCZWOEPGBHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c8-6-3-10-11(5-6)7-1-2-9-4-7/h3,5,7,9H,1-2,4H2.
What are the key properties of 4-chloro-1-pyrrolidin-3-ylpyrazole?
4-chloro-1-pyrrolidin-3-ylpyrazole has a molecular weight of 171.63 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 62329636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).