4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole

C14H19N3S — CID 163257389

IUPAC4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole
SMILESCc1ccc(-c2cnn(CCN3CCCC3)c2)s1
InChIInChI=1S/C14H19N3S/c1-12-4-5-14(18-12)13-10-15-17(11-13)9-8-16-6-2-3-7-16/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyFQPODXAICPMJOK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.02
Rot. Bonds4

About 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole

4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole (PubChem CID 163257389) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole
PubChem CID163257389
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole
SMILESCc1ccc(-c2cnn(CCN3CCCC3)c2)s1
InChIInChI=1S/C14H19N3S/c1-12-4-5-14(18-12)13-10-15-17(11-13)9-8-16-6-2-3-7-16/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyFQPODXAICPMJOK-UHFFFAOYSA-N
XLogP3.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole?
The IUPAC name of 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole (CID 163257389) is 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole is Cc1ccc(-c2cnn(CCN3CCCC3)c2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole?
The InChIKey is FQPODXAICPMJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-12-4-5-14(18-12)13-10-15-17(11-13)9-8-16-6-2-3-7-16/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole?
4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole has a molecular weight of 261.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylethyl)pyrazole is sourced from PubChem (CID 163257389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).