2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine

C16H16FN3S — CID 157180543

IUPAC2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine
SMILESCc1ccc(-c2ccc(-c3cc(C(C)(C)F)[nH]n3)nc2)s1
InChIInChI=1S/C16H16FN3S/c1-10-4-7-14(21-10)11-5-6-12(18-9-11)13-8-15(20-19-13)16(2,3)17/h4-9H,1-3H3,(H,19,20)
InChIKeyXCGRWUYPTWMQEZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.71
Rot. Bonds3

About 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine

2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine (PubChem CID 157180543) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine
PubChem CID157180543
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine
SMILESCc1ccc(-c2ccc(-c3cc(C(C)(C)F)[nH]n3)nc2)s1
InChIInChI=1S/C16H16FN3S/c1-10-4-7-14(21-10)11-5-6-12(18-9-11)13-8-15(20-19-13)16(2,3)17/h4-9H,1-3H3,(H,19,20)
InChIKeyXCGRWUYPTWMQEZ-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
2-[4-[2-[[ethyl-[(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 122192019
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
2-[4-[2-[[ethyl-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358320
2-[4-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358321
2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358322
4-Pentyl-N-[2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-benzenesulfonamide
CID 56666643
2-[4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56666644
2-[4-[2-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56670055
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
CID 118725538

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine (CID 157180543) is 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine is Cc1ccc(-c2ccc(-c3cc(C(C)(C)F)[nH]n3)nc2)s1.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine?
The InChIKey is XCGRWUYPTWMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-10-4-7-14(21-10)11-5-6-12(18-9-11)13-8-15(20-19-13)16(2,3)17/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine?
2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine has a molecular weight of 301.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)-1H-pyrazol-3-yl]-5-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 157180543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).