1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C15H14FN3S — CID 61104389

IUPAC1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cn[nH]c2)cc1-c1cccs1
InChIInChI=1S/C15H14FN3S/c16-14-4-3-11(6-13(14)15-2-1-5-20-15)7-17-8-12-9-18-19-10-12/h1-6,9-10,17H,7-8H2,(H,18,19)
InChIKeyWRZCDWZJPZEQQN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 61104389) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID61104389
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cn[nH]c2)cc1-c1cccs1
InChIInChI=1S/C15H14FN3S/c16-14-4-3-11(6-13(14)15-2-1-5-20-15)7-17-8-12-9-18-19-10-12/h1-6,9-10,17H,7-8H2,(H,18,19)
InChIKeyWRZCDWZJPZEQQN-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 46996306
2-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 6625276
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 6625363
N-{[5-(2-thienyl)-1H-pyrazol-4-yl]methyl}-3-azaspiro[5.5]undecan-9-amine
CID 56716415
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 16673458
1-(4-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 17446639
n-((3-(Thiophen-2-yl)-1h-pyrazol-4-yl)methyl)propan-1-amine
CID 25479412
1-cyclopropyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 37798213
1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43773038
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 45801191
N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-(3-thienylmethyl)cyclopropanamine
CID 46989793

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 61104389) is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is Fc1ccc(CNCc2cn[nH]c2)cc1-c1cccs1.
What is the InChIKey of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is WRZCDWZJPZEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-14-4-3-11(6-13(14)15-2-1-5-20-15)7-17-8-12-9-18-19-10-12/h1-6,9-10,17H,7-8H2,(H,18,19).
What are the key properties of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61104389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).