1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine

C16H16FN3S — CID 122165846

IUPAC1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine
SMILESCn1nc(-c2ccccc2)cc1CNCc1ccc(F)s1
InChIInChI=1S/C16H16FN3S/c1-20-13(10-18-11-14-7-8-16(17)21-14)9-15(19-20)12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3
InChIKeyUKBNVYBVMWYFHL-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.58
Rot. Bonds5

About 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine

1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine (PubChem CID 122165846) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine
PubChem CID122165846
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine
SMILESCn1nc(-c2ccccc2)cc1CNCc1ccc(F)s1
InChIInChI=1S/C16H16FN3S/c1-20-13(10-18-11-14-7-8-16(17)21-14)9-15(19-20)12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3
InChIKeyUKBNVYBVMWYFHL-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
CID 126963998
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
CID 168921661
1-[(2S)-butan-2-yl]-5-[[(5-fluorothiophen-2-yl)methylamino]methyl]pyrazole-3-carboxylic acid
CID 124932278
6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine
CID 166363371
N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 122165798
7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine
CID 167849804
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126967265
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 122165792
1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126966943

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine (CID 122165846) is 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine is Cn1nc(-c2ccccc2)cc1CNCc1ccc(F)s1.
What is the InChIKey of 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine?
The InChIKey is UKBNVYBVMWYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-20-13(10-18-11-14-7-8-16(17)21-14)9-15(19-20)12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine?
1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 122165846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).