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

C12H14FN3S — CID 122165778

IUPAC3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1ccc(F)s1
InChIInChI=1S/C12H14FN3S/c1-16-12(6-10(15-16)8-2-3-8)14-7-9-4-5-11(13)17-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyRDVWVNCJEWORCT-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.11
Rot. Bonds4

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

3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine (PubChem CID 122165778) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine
PubChem CID122165778
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1ccc(F)s1
InChIInChI=1S/C12H14FN3S/c1-16-12(6-10(15-16)8-2-3-8)14-7-9-4-5-11(13)17-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyRDVWVNCJEWORCT-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
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
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
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
N-(4-cyclopropyl-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 16747603

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine (CID 122165778) is 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine is Cn1nc(C2CC2)cc1NCc1ccc(F)s1.
What is the InChIKey of 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is RDVWVNCJEWORCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-16-12(6-10(15-16)8-2-3-8)14-7-9-4-5-11(13)17-9/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine?
3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-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 3-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 122165778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).