1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine

C11H13N3S — CID 121214182

IUPAC1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
SMILESNc1cc(-c2ccsc2)nn1CC1CC1
InChIInChI=1S/C11H13N3S/c12-11-5-10(9-3-4-15-7-9)13-14(11)6-8-1-2-8/h3-5,7-8H,1-2,6,12H2
InChIKeyBHJNNDBQQIFHEW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.60
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine

1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 121214182) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
PubChem CID121214182
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
SMILESNc1cc(-c2ccsc2)nn1CC1CC1
InChIInChI=1S/C11H13N3S/c12-11-5-10(9-3-4-15-7-9)13-14(11)6-8-1-2-8/h3-5,7-8H,1-2,6,12H2
InChIKeyBHJNNDBQQIFHEW-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine (CID 121214182) is 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine is Nc1cc(-c2ccsc2)nn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is BHJNNDBQQIFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-11-5-10(9-3-4-15-7-9)13-14(11)6-8-1-2-8/h3-5,7-8H,1-2,6,12H2.
What are the key properties of 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine?
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 219.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 121214182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).