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

C12H17N5OS — CID 55175603

IUPAC4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCc2nccs2)c1N
InChIInChI=1S/C12H17N5OS/c1-7(2)10-9(13)11(17-16-10)12(18)15-4-3-8-14-5-6-19-8/h5-7H,3-4,13H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFPVYJPAPJWKANS-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.54
Rot. Bonds5

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

4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 55175603) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID55175603
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCc2nccs2)c1N
InChIInChI=1S/C12H17N5OS/c1-7(2)10-9(13)11(17-16-10)12(18)15-4-3-8-14-5-6-19-8/h5-7H,3-4,13H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFPVYJPAPJWKANS-UHFFFAOYSA-N
XLogP1.54
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.54
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-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 55175603) is 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCCc2nccs2)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FPVYJPAPJWKANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7(2)10-9(13)11(17-16-10)12(18)15-4-3-8-14-5-6-19-8/h5-7H,3-4,13H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.54, 5 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-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55175603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).