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

C12H17N5OS — CID 62081257

IUPAC4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2n[nH]c(C)c2N)s1
InChIInChI=1S/C12H17N5OS/c1-5-9(13)10(17-16-5)12(18)15-7(3)11-6(2)14-8(4)19-11/h7H,13H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyUYGMHZUBMSUWJO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.86
Rot. Bonds3

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

4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081257) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081257
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2n[nH]c(C)c2N)s1
InChIInChI=1S/C12H17N5OS/c1-5-9(13)10(17-16-5)12(18)15-7(3)11-6(2)14-8(4)19-11/h7H,13H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyUYGMHZUBMSUWJO-UHFFFAOYSA-N
XLogP1.86
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 62081257) is 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2n[nH]c(C)c2N)s1.
What is the InChIKey of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is UYGMHZUBMSUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-9(13)10(17-16-5)12(18)15-7(3)11-6(2)14-8(4)19-11/h7H,13H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).