(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine

C16H17N3S — CID 107331981

IUPAC(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCCc1ccc(C(N)c2ccnn2-c2ccccc2)s1
InChIInChI=1S/C16H17N3S/c1-2-13-8-9-15(20-13)16(17)14-10-11-18-19(14)12-6-4-3-5-7-12/h3-11,16H,2,17H2,1H3
InChIKeyOWRCNDIQDNZWIM-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.54
Rot. Bonds4

About (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine

(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107331981) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107331981
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCCc1ccc(C(N)c2ccnn2-c2ccccc2)s1
InChIInChI=1S/C16H17N3S/c1-2-13-8-9-15(20-13)16(17)14-10-11-18-19(14)12-6-4-3-5-7-12/h3-11,16H,2,17H2,1H3
InChIKeyOWRCNDIQDNZWIM-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332136
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991
(2-methylfuran-3-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330866
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
[(5-ethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307367
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(6-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332063
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
[(5-ethylthiophen-2-yl)-phenylmethyl]hydrazine
CID 105282884

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine (CID 107331981) is (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine is CCc1ccc(C(N)c2ccnn2-c2ccccc2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is OWRCNDIQDNZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-13-8-9-15(20-13)16(17)14-10-11-18-19(14)12-6-4-3-5-7-12/h3-11,16H,2,17H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107331981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).