5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole

C12H20ClN3 — CID 63219492

IUPAC5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Cl)c1CN1CCCC1(C)C
InChIInChI=1S/C12H20ClN3/c1-9-10(11(13)15(4)14-9)8-16-7-5-6-12(16,2)3/h5-8H2,1-4H3
InChIKeyTUUCVHFOHPLTCB-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.76
Rot. Bonds2

About 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole

5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole (PubChem CID 63219492) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
PubChem CID63219492
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Cl)c1CN1CCCC1(C)C
InChIInChI=1S/C12H20ClN3/c1-9-10(11(13)15(4)14-9)8-16-7-5-6-12(16,2)3/h5-8H2,1-4H3
InChIKeyTUUCVHFOHPLTCB-UHFFFAOYSA-N
XLogP2.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
CID 65463380
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65071221
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467286
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141119
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 172514454
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole (CID 63219492) is 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole is Cc1nn(C)c(Cl)c1CN1CCCC1(C)C.
What is the InChIKey of 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
The InChIKey is TUUCVHFOHPLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9-10(11(13)15(4)14-9)8-16-7-5-6-12(16,2)3/h5-8H2,1-4H3.
What are the key properties of 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole has a molecular weight of 241.77 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 63219492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).