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

C11H15N5OS — CID 91772420

IUPAC3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H15N5OS/c1-3-7-9(18-6(2)14-7)5-13-11(17)8-4-10(12)16-15-8/h4H,3,5H2,1-2H3,(H,13,17)(H3,12,15,16)
InChIKeyLPHFUPNBYUHOQP-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.25
Rot. Bonds4

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

3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91772420) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91772420
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H15N5OS/c1-3-7-9(18-6(2)14-7)5-13-11(17)8-4-10(12)16-15-8/h4H,3,5H2,1-2H3,(H,13,17)(H3,12,15,16)
InChIKeyLPHFUPNBYUHOQP-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (CID 91772420) is 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is CCc1nc(C)sc1CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LPHFUPNBYUHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-7-9(18-6(2)14-7)5-13-11(17)8-4-10(12)16-15-8/h4H,3,5H2,1-2H3,(H,13,17)(H3,12,15,16).
What are the key properties of 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91772420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).