5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole

C13H21N3 — CID 103010977

IUPAC5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1(C2CC2)CCCN1
InChIInChI=1S/C13H21N3/c1-16-12(6-10-15-16)5-8-13(11-3-4-11)7-2-9-14-13/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyCLVDTOXEILVDEN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.88
Rot. Bonds4

About 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole

5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole (PubChem CID 103010977) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
PubChem CID103010977
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1(C2CC2)CCCN1
InChIInChI=1S/C13H21N3/c1-16-12(6-10-15-16)5-8-13(11-3-4-11)7-2-9-14-13/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyCLVDTOXEILVDEN-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
CID 114554671
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane
CID 103016739

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole (CID 103010977) is 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole is Cn1nccc1CCC1(C2CC2)CCCN1.
What is the InChIKey of 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole?
The InChIKey is CLVDTOXEILVDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-12(6-10-15-16)5-8-13(11-3-4-11)7-2-9-14-13/h6,10-11,14H,2-5,7-9H2,1H3.
What are the key properties of 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole?
5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole has a molecular weight of 219.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole is sourced from PubChem (CID 103010977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).