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

C12H17N5OS — CID 55172441

IUPAC4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C12H17N5OS/c1-6(2)10-9(13)11(17-16-10)12(18)14-4-8-7(3)15-5-19-8/h5-6H,4,13H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNCNWIWWQIZNOIJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.81
Rot. Bonds4

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

4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55172441) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55172441
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C12H17N5OS/c1-6(2)10-9(13)11(17-16-10)12(18)14-4-8-7(3)15-5-19-8/h5-6H,4,13H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNCNWIWWQIZNOIJ-UHFFFAOYSA-N
XLogP1.81
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 55172441) is 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1ncsc1CNC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NCNWIWWQIZNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-6(2)10-9(13)11(17-16-10)12(18)14-4-8-7(3)15-5-19-8/h5-6H,4,13H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55172441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).