N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide

C16H20N4OS — CID 69260848

IUPACN-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1SC)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C16H20N4OS/c1-4-19(16(21)13-8-15(13)22-3)14-10-20(18-11(14)2)12-6-5-7-17-9-12/h5-7,9-10,13,15H,4,8H2,1-3H3
InChIKeyNQCVZAYVPQAVHO-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.68
Rot. Bonds5

About N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide

N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide (PubChem CID 69260848) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
PubChem CID69260848
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1SC)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C16H20N4OS/c1-4-19(16(21)13-8-15(13)22-3)14-10-20(18-11(14)2)12-6-5-7-17-9-12/h5-7,9-10,13,15H,4,8H2,1-3H3
InChIKeyNQCVZAYVPQAVHO-UHFFFAOYSA-N
XLogP2.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide (CID 69260848) is N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide is CCN(C(=O)C1CC1SC)c1cn(-c2cccnc2)nc1C.
What is the InChIKey of N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide?
The InChIKey is NQCVZAYVPQAVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-4-19(16(21)13-8-15(13)22-3)14-10-20(18-11(14)2)12-6-5-7-17-9-12/h5-7,9-10,13,15H,4,8H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide?
N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 69260848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).