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

C15H21N5OS — CID 70770435

IUPAC5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1nnc(CCNC(=O)c2cn[nH]c2C2CCCCC2)s1
InChIInChI=1S/C15H21N5OS/c1-10-18-19-13(22-10)7-8-16-15(21)12-9-17-20-14(12)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,16,21)(H,17,20)
InChIKeyOABDXASNFYETSD-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.59
Rot. Bonds5

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

5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 70770435) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID70770435
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1nnc(CCNC(=O)c2cn[nH]c2C2CCCCC2)s1
InChIInChI=1S/C15H21N5OS/c1-10-18-19-13(22-10)7-8-16-15(21)12-9-17-20-14(12)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,16,21)(H,17,20)
InChIKeyOABDXASNFYETSD-UHFFFAOYSA-N
XLogP2.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 70770435) is 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is Cc1nnc(CCNC(=O)c2cn[nH]c2C2CCCCC2)s1.
What is the InChIKey of 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OABDXASNFYETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-18-19-13(22-10)7-8-16-15(21)12-9-17-20-14(12)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,16,21)(H,17,20).
What are the key properties of 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70770435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).