1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide

C12H17N5OS — CID 50948047

IUPAC1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2snnc2C)c(C)n1
InChIInChI=1S/C12H17N5OS/c1-5-17-6-10(8(2)14-17)12(18)16(4)7-11-9(3)13-15-19-11/h6H,5,7H2,1-4H3
InChIKeyNCZGGCVQROIBDY-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.64
Rot. Bonds4

About 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide

1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 50948047) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID50948047
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2snnc2C)c(C)n1
InChIInChI=1S/C12H17N5OS/c1-5-17-6-10(8(2)14-17)12(18)16(4)7-11-9(3)13-15-19-11/h6H,5,7H2,1-4H3
InChIKeyNCZGGCVQROIBDY-UHFFFAOYSA-N
XLogP1.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide (CID 50948047) is 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(C)Cc2snnc2C)c(C)n1.
What is the InChIKey of 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is NCZGGCVQROIBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-17-6-10(8(2)14-17)12(18)16(4)7-11-9(3)13-15-19-11/h6H,5,7H2,1-4H3.
What are the key properties of 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50948047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).