1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide

C19H24N4O3 — CID 158822915

IUPAC1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC2(CC1)COC2
InChIInChI=1S/C19H24N4O3/c20-8-7-19(5-3-18(4-6-19)11-26-12-18)23-10-14(17(21)25)15(22-23)9-16(24)13-1-2-13/h10,13H,1-7,9,11-12H2,(H2,21,25)
InChIKeyIWCCEADHMVBVPS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.70
Rot. Bonds6

About 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide

1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide (PubChem CID 158822915) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
PubChem CID158822915
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC2(CC1)COC2
InChIInChI=1S/C19H24N4O3/c20-8-7-19(5-3-18(4-6-19)11-26-12-18)23-10-14(17(21)25)15(22-23)9-16(24)13-1-2-13/h10,13H,1-7,9,11-12H2,(H2,21,25)
InChIKeyIWCCEADHMVBVPS-UHFFFAOYSA-N
XLogP1.70
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[1-(Cyanomethyl)-4-(2,2,2-trifluoroethylamino)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 157573698
1-[1-(Cyanomethyl)-4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 161116559
1-[1-(Cyanomethyl)-4-[3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 161851666
Cyclopropylmethyl 4-[4-carbamoyl-3-(2-cyclopropyl-2-oxoethyl)pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 148501522
1-[7-(Cyanomethyl)-2-oxa-4-azoniaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 157134829
1-[1-(Cyanomethyl)-4-oxocyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 158440199
1-[1-(Cyanomethyl)-4-hydroxycyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide
CID 158440200

Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide (CID 158822915) is 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide is N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3)n2)CCC2(CC1)COC2.
What is the InChIKey of 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide?
The InChIKey is IWCCEADHMVBVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-8-7-19(5-3-18(4-6-19)11-26-12-18)23-10-14(17(21)25)15(22-23)9-16(24)13-1-2-13/h10,13H,1-7,9,11-12H2,(H2,21,25).
What are the key properties of 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide?
1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158822915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).