N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H18N4OS — CID 56905889

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H18N4OS/c1-9-12(20-8-15-9)6-7-18(2)14(19)13-10-4-3-5-11(10)16-17-13/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyBUWADHDJGPVQQB-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 56905889) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID56905889
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H18N4OS/c1-9-12(20-8-15-9)6-7-18(2)14(19)13-10-4-3-5-11(10)16-17-13/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyBUWADHDJGPVQQB-UHFFFAOYSA-N
XLogP1.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 56905889) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1ncsc1CCN(C)C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is BUWADHDJGPVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-12(20-8-15-9)6-7-18(2)14(19)13-10-4-3-5-11(10)16-17-13/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 56905889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).