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

C12H16FN3S — CID 122165726

IUPACN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine
SMILESCCCn1nc(NCc2ccc(F)s2)cc1C
InChIInChI=1S/C12H16FN3S/c1-3-6-16-9(2)7-12(15-16)14-8-10-4-5-11(13)17-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMHJKEYPZRUQYTK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.41
Rot. Bonds5

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

N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine (PubChem CID 122165726) 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-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine
PubChem CID122165726
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine
SMILESCCCn1nc(NCc2ccc(F)s2)cc1C
InChIInChI=1S/C12H16FN3S/c1-3-6-16-9(2)7-12(15-16)14-8-10-4-5-11(13)17-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMHJKEYPZRUQYTK-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine (CID 122165726) is N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine is CCCn1nc(NCc2ccc(F)s2)cc1C.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine?
The InChIKey is MHJKEYPZRUQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-3-6-16-9(2)7-12(15-16)14-8-10-4-5-11(13)17-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine?
N-[(5-fluorothiophen-2-yl)methyl]-5-methyl-1-propylpyrazol-3-amine has a molecular weight of 253.35 g/mol, XLogP of 3.41, 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-1-propylpyrazol-3-amine is sourced from PubChem (CID 122165726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).