5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine

C12H14FN3S — CID 122165721

IUPAC5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1nc(NCc2ccc(F)s2)cc1C1CC1
InChIInChI=1S/C12H14FN3S/c1-16-10(8-2-3-8)6-12(15-16)14-7-9-4-5-11(13)17-9/h4-6,8H,2-3,7H2,1H3,(H,14,15)
InChIKeyJYKQZWFQYKPOOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.11
Rot. Bonds4

About 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine

5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine (PubChem CID 122165721) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
PubChem CID122165721
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1nc(NCc2ccc(F)s2)cc1C1CC1
InChIInChI=1S/C12H14FN3S/c1-16-10(8-2-3-8)6-12(15-16)14-7-9-4-5-11(13)17-9/h4-6,8H,2-3,7H2,1H3,(H,14,15)
InChIKeyJYKQZWFQYKPOOH-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.11
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-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
4-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 91629051
2-Methyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773204
2-methyl-N-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 58907097
1-cyclopropyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]methanamine
CID 58955813
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-[(4-Fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine
CID 55172602
1-[(3-Fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine
CID 63278845

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine (CID 122165721) is 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine is Cn1nc(NCc2ccc(F)s2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is JYKQZWFQYKPOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-16-10(8-2-3-8)6-12(15-16)14-7-9-4-5-11(13)17-9/h4-6,8H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 251.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 122165721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).