4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole

C14H22ClN3 — CID 66466493

IUPAC4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC2(C3CC3)CCCN2)c1Cl
InChIInChI=1S/C14H22ClN3/c1-3-11-13(15)12(18(2)17-11)9-14(10-5-6-10)7-4-8-16-14/h10,16H,3-9H2,1-2H3
InChIKeyGNVMSVZBUVJJNY-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole

4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole (PubChem CID 66466493) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
PubChem CID66466493
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC2(C3CC3)CCCN2)c1Cl
InChIInChI=1S/C14H22ClN3/c1-3-11-13(15)12(18(2)17-11)9-14(10-5-6-10)7-4-8-16-14/h10,16H,3-9H2,1-2H3
InChIKeyGNVMSVZBUVJJNY-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane
CID 79118582
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
CID 66466489
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
2-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 79117652
5-[(3-bromo-1-methylcyclopentyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 116540540
[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66024947
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976815
[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058600
2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66468538
[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]thiolan-2-yl]methanamine
CID 83174569
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole (CID 66466493) is 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole is CCc1nn(C)c(CC2(C3CC3)CCCN2)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole?
The InChIKey is GNVMSVZBUVJJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-11-13(15)12(18(2)17-11)9-14(10-5-6-10)7-4-8-16-14/h10,16H,3-9H2,1-2H3.
What are the key properties of 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole?
4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole has a molecular weight of 267.80 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 66466493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).