N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine

C12H16FN3S — CID 122165724

IUPACN-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1cn(C(C)C)nc1NCc1ccc(F)s1
InChIInChI=1S/C12H16FN3S/c1-8(2)16-7-9(3)12(15-16)14-6-10-4-5-11(13)17-10/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyGACQJEGNUCATBC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds4

About N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine

N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine (PubChem CID 122165724) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
PubChem CID122165724
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1cn(C(C)C)nc1NCc1ccc(F)s1
InChIInChI=1S/C12H16FN3S/c1-8(2)16-7-9(3)12(15-16)14-6-10-4-5-11(13)17-10/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyGACQJEGNUCATBC-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine (CID 122165724) is N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine is Cc1cn(C(C)C)nc1NCc1ccc(F)s1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
The InChIKey is GACQJEGNUCATBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-8(2)16-7-9(3)12(15-16)14-6-10-4-5-11(13)17-10/h4-5,7-8H,6H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
N-[(5-fluorothiophen-2-yl)methyl]-4-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]-4-methyl-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122165724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).