N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C15H15N3S — CID 6625363

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(-c2[nH]ncc2CNCc2cccs2)cc1
InChIInChI=1S/C15H15N3S/c1-2-5-12(6-3-1)15-13(10-17-18-15)9-16-11-14-7-4-8-19-14/h1-8,10,16H,9,11H2,(H,17,18)
InChIKeyBBCXBGPHEGYLAF-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.43
Rot. Bonds5

About N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 6625363) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID6625363
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(-c2[nH]ncc2CNCc2cccs2)cc1
InChIInChI=1S/C15H15N3S/c1-2-5-12(6-3-1)15-13(10-17-18-15)9-16-11-14-7-4-8-19-14/h1-8,10,16H,9,11H2,(H,17,18)
InChIKeyBBCXBGPHEGYLAF-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 6625363) is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is c1ccc(-c2[nH]ncc2CNCc2cccs2)cc1.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is BBCXBGPHEGYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-5-12(6-3-1)15-13(10-17-18-15)9-16-11-14-7-4-8-19-14/h1-8,10,16H,9,11H2,(H,17,18).
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 6625363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).