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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Related Compounds

1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-(3-methylthiophen-2-YL)azepane
CID 46366472
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methyl-2-thienyl)azepane
CID 46366473
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N,N-dimethyl-3-pyrrolidinamine
CID 70783086
1-[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 97470984
(3aR,7aS)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 127021132
1-Heptyl-4-phenyl-3-thiophen-2-ylpyrazole
CID 177651617
1-Methyl-4-(2-thienyl)pyrazole
CID 12619266
4-[5-(ethylsulfonyl)-2-thienyl]-1-methyl-1H-pyrazole
CID 39736171
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[(3-methyl-2-thienyl)methyl]ethanamine
CID 50984756
2-(4-methylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 53623601
2-(4-Methyl-1h-pyrazol-1-yl)-N-(2-(thiophen-2-yl)ethyl)ethan-1-amine
CID 56828811

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).