N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide

C17H19N5O2S — CID 3760997

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ncccc1C(=O)Nc1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C17H19N5O2S/c1-4-25-17-14(6-5-7-18-17)16(23)20-13-8-19-22(9-13)10-15-11(2)21-24-12(15)3/h5-9H,4,10H2,1-3H3,(H,20,23)
InChIKeyQPTWIKACJBVUGP-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.30
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide (PubChem CID 3760997) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide
PubChem CID3760997
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ncccc1C(=O)Nc1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C17H19N5O2S/c1-4-25-17-14(6-5-7-18-17)16(23)20-13-8-19-22(9-13)10-15-11(2)21-24-12(15)3/h5-9H,4,10H2,1-3H3,(H,20,23)
InChIKeyQPTWIKACJBVUGP-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide (CID 3760997) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide is CCSc1ncccc1C(=O)Nc1cnn(Cc2c(C)noc2C)c1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide?
The InChIKey is QPTWIKACJBVUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-4-25-17-14(6-5-7-18-17)16(23)20-13-8-19-22(9-13)10-15-11(2)21-24-12(15)3/h5-9H,4,10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 3760997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).