1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine

C11H14FN3S — CID 122168698

IUPAC1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
SMILESCc1nn(CCF)cc1NCc1cccs1
InChIInChI=1S/C11H14FN3S/c1-9-11(8-15(14-9)5-4-12)13-7-10-3-2-6-16-10/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyWGPYXNAPNUSAFQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine

1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine (PubChem CID 122168698) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
PubChem CID122168698
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
SMILESCc1nn(CCF)cc1NCc1cccs1
InChIInChI=1S/C11H14FN3S/c1-9-11(8-15(14-9)5-4-12)13-7-10-3-2-6-16-10/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyWGPYXNAPNUSAFQ-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162644500
N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6901628
N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435004
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71808159
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71808160
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}propane-1-sulfonamide
CID 71808161
1-Phenyl-3-(2-thienyl)pyrazole
CID 12026713
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 134793265
N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2346943

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine (CID 122168698) is 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine is Cc1nn(CCF)cc1NCc1cccs1.
What is the InChIKey of 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
The InChIKey is WGPYXNAPNUSAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-9-11(8-15(14-9)5-4-12)13-7-10-3-2-6-16-10/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 122168698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).