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

C15H15N5OS — CID 46889160

IUPACN-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C)[nH]n1
InChIInChI=1S/C15H15N5OS/c1-3-17-14(21)12-7-11(19-20-12)13-9(2)18-15(22-13)10-5-4-6-16-8-10/h4-8H,3H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySNAUNKQNGBUWGW-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.65
Rot. Bonds4

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

N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 46889160) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID46889160
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C)[nH]n1
InChIInChI=1S/C15H15N5OS/c1-3-17-14(21)12-7-11(19-20-12)13-9(2)18-15(22-13)10-5-4-6-16-8-10/h4-8H,3H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySNAUNKQNGBUWGW-UHFFFAOYSA-N
XLogP2.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide (CID 46889160) is N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C)[nH]n1.
What is the InChIKey of N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SNAUNKQNGBUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-3-17-14(21)12-7-11(19-20-12)13-9(2)18-15(22-13)10-5-4-6-16-8-10/h4-8H,3H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).