N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine

C13H18FN3S — CID 122165781

IUPACN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine
SMILESCc1cc(NCc2ccc(F)s2)n(CC(C)C)n1
InChIInChI=1S/C13H18FN3S/c1-9(2)8-17-13(6-10(3)16-17)15-7-11-4-5-12(14)18-11/h4-6,9,15H,7-8H2,1-3H3
InChIKeyOUEDNDUEEHCBFF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.66
Rot. Bonds5

About N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine

N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine (PubChem CID 122165781) has the molecular formula C13H18FN3S and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine
PubChem CID122165781
Molecular FormulaC13H18FN3S
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine
SMILESCc1cc(NCc2ccc(F)s2)n(CC(C)C)n1
InChIInChI=1S/C13H18FN3S/c1-9(2)8-17-13(6-10(3)16-17)15-7-11-4-5-12(14)18-11/h4-6,9,15H,7-8H2,1-3H3
InChIKeyOUEDNDUEEHCBFF-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
(E)-N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-3-(thiophen-2-yl)acrylamide
CID 25836051
N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 45284700
2-Methyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773204
6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine
CID 19788617
2-methyl-N-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 58907097
1-methyl-N-(thiophen-3-ylmethyl)-3-[(1E,6Z)-5-(trifluoromethyl)cycloocta-1,3,6-trien-1-yl]pyrazol-5-amine
CID 142844521
N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 150198918
5-Methyl-2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61733741
1-[[(2S)-pyrrolidin-2-yl]methyl]-3-thiophen-2-ylpyrazol-5-amine
CID 129503856

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine (CID 122165781) is N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine is Cc1cc(NCc2ccc(F)s2)n(CC(C)C)n1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is OUEDNDUEEHCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3S/c1-9(2)8-17-13(6-10(3)16-17)15-7-11-4-5-12(14)18-11/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine?
N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 267.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-2-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 122165781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).