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

C12H16FN3S — CID 122165723

IUPAC1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESCCC(C)n1ccc(NCc2ccc(F)s2)n1
InChIInChI=1S/C12H16FN3S/c1-3-9(2)16-7-6-12(15-16)14-8-10-4-5-11(13)17-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyGJCDOHUFSKFSPF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.67
Rot. Bonds5

About 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine

1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 122165723) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID122165723
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC Name1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESCCC(C)n1ccc(NCc2ccc(F)s2)n1
InChIInChI=1S/C12H16FN3S/c1-3-9(2)16-7-6-12(15-16)14-8-10-4-5-11(13)17-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyGJCDOHUFSKFSPF-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine (CID 122165723) is 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine is CCC(C)n1ccc(NCc2ccc(F)s2)n1.
What is the InChIKey of 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is GJCDOHUFSKFSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-3-9(2)16-7-6-12(15-16)14-8-10-4-5-11(13)17-10/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 253.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122165723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).