1-phenyl-3-thiophen-2-ylpyrazol-4-amine

C13H11N3S — CID 2110832

IUPAC1-phenyl-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C13H11N3S/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h1-9H,14H2
InChIKeyUAMUSLJKSRYNCE-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.18
Rot. Bonds2

About 1-phenyl-3-thiophen-2-ylpyrazol-4-amine

1-phenyl-3-thiophen-2-ylpyrazol-4-amine (PubChem CID 2110832) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylpyrazol-4-amine
PubChem CID2110832
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name1-phenyl-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C13H11N3S/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h1-9H,14H2
InChIKeyUAMUSLJKSRYNCE-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 6904022
nitric acid;2-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]guanidine
CID 16239028
Kpc-2-IN-2
CID 164887536
[3-(4-Thiophen-2-yltriazol-1-yl)phenyl]boronic acid
CID 168293550
[5-(1-Phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344908
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 50966220
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
4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide
CID 155540992

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazol-4-amine?
The IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazol-4-amine (CID 2110832) is 1-phenyl-3-thiophen-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylpyrazol-4-amine?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylpyrazol-4-amine is Nc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylpyrazol-4-amine?
The InChIKey is UAMUSLJKSRYNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h1-9H,14H2.
What are the key properties of 1-phenyl-3-thiophen-2-ylpyrazol-4-amine?
1-phenyl-3-thiophen-2-ylpyrazol-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylpyrazol-4-amine is sourced from PubChem (CID 2110832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).