5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole

C9H14ClN3 — CID 95970426

IUPAC5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
SMILESCc1nn(C)c(Cl)c1[C@@H]1CCCN1
InChIInChI=1S/C9H14ClN3/c1-6-8(7-4-3-5-11-7)9(10)13(2)12-6/h7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyHNVLVORHMBKFKO-ZETCQYMHSA-N
MW199.68 g/mol
LogP1.81
Rot. Bonds1

About 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole

5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole (PubChem CID 95970426) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
PubChem CID95970426
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
SMILESCc1nn(C)c(Cl)c1[C@@H]1CCCN1
InChIInChI=1S/C9H14ClN3/c1-6-8(7-4-3-5-11-7)9(10)13(2)12-6/h7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyHNVLVORHMBKFKO-ZETCQYMHSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)piperidine
CID 131382411
1-ethyl-3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 99978633
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 96633250
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid
CID 99978642
4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole
CID 89231145
1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
CID 113470030
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
1-methyl-4-pyrrolidin-2-ylpyrazol-5-amine
CID 163948603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole?
The IUPAC name of 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole (CID 95970426) is 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole is Cc1nn(C)c(Cl)c1[C@@H]1CCCN1.
What is the InChIKey of 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole?
The InChIKey is HNVLVORHMBKFKO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-8(7-4-3-5-11-7)9(10)13(2)12-6/h7,11H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole?
5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole has a molecular weight of 199.68 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 95970426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).