[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine

C15H15N3S — CID 107557829

IUPAC[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(Cn2cc(-c3ccccc3)cn2)s1
InChIInChI=1S/C15H15N3S/c16-8-14-6-7-15(19-14)11-18-10-13(9-17-18)12-4-2-1-3-5-12/h1-7,9-10H,8,11,16H2
InChIKeyZPTCJRNTTAAYEG-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.12
Rot. Bonds4

About [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine

[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 107557829) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID107557829
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(Cn2cc(-c3ccccc3)cn2)s1
InChIInChI=1S/C15H15N3S/c16-8-14-6-7-15(19-14)11-18-10-13(9-17-18)12-4-2-1-3-5-12/h1-7,9-10H,8,11,16H2
InChIKeyZPTCJRNTTAAYEG-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 62771000
[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62769754
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62770083
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
2-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridine
CID 79040111
2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62770976
[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62772041
2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine
CID 65480559
5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
CID 62885446
4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]aniline
CID 63327910

Frequently Asked Questions

What is the IUPAC name of [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine (CID 107557829) is [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine is NCc1ccc(Cn2cc(-c3ccccc3)cn2)s1.
What is the InChIKey of [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is ZPTCJRNTTAAYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-8-14-6-7-15(19-14)11-18-10-13(9-17-18)12-4-2-1-3-5-12/h1-7,9-10H,8,11,16H2.
What are the key properties of [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
[5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-phenylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107557829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).