N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide

C16H19FN4OS — CID 129150664

IUPACN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1SC)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H19FN4OS/c1-4-20(16(22)13-6-15(13)23-3)14-9-21(19-10(14)2)12-5-11(17)7-18-8-12/h5,7-9,13,15H,4,6H2,1-3H3
InChIKeyAIWCOHBSBMRDHX-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.82
Rot. Bonds5

About N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide

N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide (PubChem CID 129150664) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide
PubChem CID129150664
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1SC)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H19FN4OS/c1-4-20(16(22)13-6-15(13)23-3)14-9-21(19-10(14)2)12-5-11(17)7-18-8-12/h5,7-9,13,15H,4,6H2,1-3H3
InChIKeyAIWCOHBSBMRDHX-UHFFFAOYSA-N
XLogP2.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide (CID 129150664) is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide is CCN(C(=O)C1CC1SC)c1cn(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide?
The InChIKey is AIWCOHBSBMRDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-4-20(16(22)13-6-15(13)23-3)14-9-21(19-10(14)2)12-5-11(17)7-18-8-12/h5,7-9,13,15H,4,6H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide?
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 129150664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).