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

C12H17N5OS — CID 66123807

IUPAC4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(N)c(C)nn2C)cs1
InChIInChI=1S/C12H17N5OS/c1-7-10(13)11(17(4)15-7)12(18)16(3)5-9-6-19-8(2)14-9/h6H,5,13H2,1-4H3
InChIKeyNWBBCJVHAVLFQS-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.35
Rot. Bonds3

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

4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 66123807) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID66123807
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(N)c(C)nn2C)cs1
InChIInChI=1S/C12H17N5OS/c1-7-10(13)11(17(4)15-7)12(18)16(3)5-9-6-19-8(2)14-9/h6H,5,13H2,1-4H3
InChIKeyNWBBCJVHAVLFQS-UHFFFAOYSA-N
XLogP1.35
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide (CID 66123807) is 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide is Cc1nc(CN(C)C(=O)c2c(N)c(C)nn2C)cs1.
What is the InChIKey of 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is NWBBCJVHAVLFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7-10(13)11(17(4)15-7)12(18)16(3)5-9-6-19-8(2)14-9/h6H,5,13H2,1-4H3.
What are the key properties of 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66123807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).