1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide

C19H18N6O2 — CID 89462063

IUPAC1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide
SMILESN#CCC(C1CC1)n1cc(C(N)=O)c(Nc2ccc(-c3cnco3)cc2)n1
InChIInChI=1S/C19H18N6O2/c20-8-7-16(12-1-2-12)25-10-15(18(21)26)19(24-25)23-14-5-3-13(4-6-14)17-9-22-11-27-17/h3-6,9-12,16H,1-2,7H2,(H2,21,26)(H,23,24)
InChIKeyPETFQORBDLCJEO-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.25
Rot. Bonds7

About 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide

1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide (PubChem CID 89462063) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide
PubChem CID89462063
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide
SMILESN#CCC(C1CC1)n1cc(C(N)=O)c(Nc2ccc(-c3cnco3)cc2)n1
InChIInChI=1S/C19H18N6O2/c20-8-7-16(12-1-2-12)25-10-15(18(21)26)19(24-25)23-14-5-3-13(4-6-14)17-9-22-11-27-17/h3-6,9-12,16H,1-2,7H2,(H2,21,26)(H,23,24)
InChIKeyPETFQORBDLCJEO-UHFFFAOYSA-N
XLogP3.25
TPSA122.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide (CID 89462063) is 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide is N#CCC(C1CC1)n1cc(C(N)=O)c(Nc2ccc(-c3cnco3)cc2)n1.
What is the InChIKey of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide?
The InChIKey is PETFQORBDLCJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-8-7-16(12-1-2-12)25-10-15(18(21)26)19(24-25)23-14-5-3-13(4-6-14)17-9-22-11-27-17/h3-6,9-12,16H,1-2,7H2,(H2,21,26)(H,23,24).
What are the key properties of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide?
1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-1-cyclopropylethyl)-3-[4-(1,3-oxazol-5-yl)anilino]pyrazole-4-carboxamide is sourced from PubChem (CID 89462063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).