N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C12H15N5OS — CID 56723057

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nnsc1CN(C)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H15N5OS/c1-7-10(19-16-13-7)6-17(2)12(18)11-8-4-3-5-9(8)14-15-11/h3-6H2,1-2H3,(H,14,15)
InChIKeyLKLWRXPPBBHXKL-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.33
Rot. Bonds3

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 56723057) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID56723057
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nnsc1CN(C)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H15N5OS/c1-7-10(19-16-13-7)6-17(2)12(18)11-8-4-3-5-9(8)14-15-11/h3-6H2,1-2H3,(H,14,15)
InChIKeyLKLWRXPPBBHXKL-UHFFFAOYSA-N
XLogP1.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 56723057) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1nnsc1CN(C)C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LKLWRXPPBBHXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-10(19-16-13-7)6-17(2)12(18)11-8-4-3-5-9(8)14-15-11/h3-6H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 56723057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).