1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine

C12H16N4OS — CID 62758693

IUPAC1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine
SMILESc1ncc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C12H16N4OS/c1-2-11(17-3-1)8-16-7-10(4-15-16)14-6-12-5-13-9-18-12/h4-5,7,9,11,14H,1-3,6,8H2
InChIKeyIWPXFWHQHUHUFA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.13
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine

1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine (PubChem CID 62758693) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine
PubChem CID62758693
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine
SMILESc1ncc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C12H16N4OS/c1-2-11(17-3-1)8-16-7-10(4-15-16)14-6-12-5-13-9-18-12/h4-5,7,9,11,14H,1-3,6,8H2
InChIKeyIWPXFWHQHUHUFA-UHFFFAOYSA-N
XLogP2.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine (CID 62758693) is 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine is c1ncc(CNc2cnn(CC3CCCO3)c2)s1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine?
The InChIKey is IWPXFWHQHUHUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-11(17-3-1)8-16-7-10(4-15-16)14-6-12-5-13-9-18-12/h4-5,7,9,11,14H,1-3,6,8H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine?
1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62758693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).