N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine

C12H16FN3S — CID 122165725

IUPACN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1cc(NCc2ccc(F)s2)nn1C(C)C
InChIInChI=1S/C12H16FN3S/c1-8(2)16-9(3)6-12(15-16)14-7-10-4-5-11(13)17-10/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyQPNBAXBHYZVIOH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds4

About N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine

N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine (PubChem CID 122165725) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine
PubChem CID122165725
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1cc(NCc2ccc(F)s2)nn1C(C)C
InChIInChI=1S/C12H16FN3S/c1-8(2)16-9(3)6-12(15-16)14-7-10-4-5-11(13)17-10/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyQPNBAXBHYZVIOH-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.59
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
3-(1,5-dimethylpyrazol-3-yl)-1-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1-methylurea
CID 128968487
(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
1-methyl-N-(thiophen-3-ylmethyl)-3-[(1E,6Z)-5-(trifluoromethyl)cycloocta-1,3,6-trien-1-yl]pyrazol-5-amine
CID 142844521
N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]butan-1-amine;propane
CID 143533708
N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethenyl]butan-1-amine
CID 143534138
5-Methyl-2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61733741

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine (CID 122165725) is N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine is Cc1cc(NCc2ccc(F)s2)nn1C(C)C.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine?
The InChIKey is QPNBAXBHYZVIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-8(2)16-9(3)6-12(15-16)14-7-10-4-5-11(13)17-10/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine?
N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-amine has a molecular weight of 253.35 g/mol, XLogP of 3.59, 4 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-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122165725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).