1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole

C10H16ClN3 — CID 130516358

IUPAC1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
SMILESCc1cnn(CCN2CCC(Cl)C2)c1
InChIInChI=1S/C10H16ClN3/c1-9-6-12-14(7-9)5-4-13-3-2-10(11)8-13/h6-7,10H,2-5,8H2,1H3
InChIKeySMAMSICYRPSGBP-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.50
Rot. Bonds3

About 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole

1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole (PubChem CID 130516358) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
PubChem CID130516358
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
SMILESCc1cnn(CCN2CCC(Cl)C2)c1
InChIInChI=1S/C10H16ClN3/c1-9-6-12-14(7-9)5-4-13-3-2-10(11)8-13/h6-7,10H,2-5,8H2,1H3
InChIKeySMAMSICYRPSGBP-UHFFFAOYSA-N
XLogP1.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
CID 163350952
1-cyclopentyl-4-[2-(4-methylpyrazol-1-yl)ethyl]piperazine
CID 171701763
3-ethyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-1,4-diazepane
CID 114279126
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine
CID 172900475
1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 71880008
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole?
The IUPAC name of 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole (CID 130516358) is 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole.
What is the SMILES notation for 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole?
The canonical SMILES for 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole is Cc1cnn(CCN2CCC(Cl)C2)c1.
What is the InChIKey of 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole?
The InChIKey is SMAMSICYRPSGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-9-6-12-14(7-9)5-4-13-3-2-10(11)8-13/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole?
1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole has a molecular weight of 213.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole is sourced from PubChem (CID 130516358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).