4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

C11H15N5OS — CID 62076401

IUPAC4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2nccs2)c1N
InChIInChI=1S/C11H15N5OS/c1-6(2)9-8(12)10(16-15-9)11(17)14-5-7-13-3-4-18-7/h3-4,6H,5,12H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIGDKZCZLVHZYHR-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62076401) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62076401
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2nccs2)c1N
InChIInChI=1S/C11H15N5OS/c1-6(2)9-8(12)10(16-15-9)11(17)14-5-7-13-3-4-18-7/h3-4,6H,5,12H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIGDKZCZLVHZYHR-UHFFFAOYSA-N
XLogP1.50
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62076401) is 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCc2nccs2)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IGDKZCZLVHZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6(2)9-8(12)10(16-15-9)11(17)14-5-7-13-3-4-18-7/h3-4,6H,5,12H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).