N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide

C26H34N4O2 — CID 154849145

IUPACN-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide
SMILESCCn1cc(C(=O)N2CCC3(CC2)CC(NC(=O)c2ccc(C)cc2C)C3)c(C2CC2)n1
InChIInChI=1S/C26H34N4O2/c1-4-30-16-22(23(28-30)19-6-7-19)25(32)29-11-9-26(10-12-29)14-20(15-26)27-24(31)21-8-5-17(2)13-18(21)3/h5,8,13,16,19-20H,4,6-7,9-12,14-15H2,1-3H3,(H,27,31)
InChIKeyOEDFCAJPLNCWQD-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.21
Rot. Bonds5

About N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide

N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide (PubChem CID 154849145) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide
PubChem CID154849145
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide
SMILESCCn1cc(C(=O)N2CCC3(CC2)CC(NC(=O)c2ccc(C)cc2C)C3)c(C2CC2)n1
InChIInChI=1S/C26H34N4O2/c1-4-30-16-22(23(28-30)19-6-7-19)25(32)29-11-9-26(10-12-29)14-20(15-26)27-24(31)21-8-5-17(2)13-18(21)3/h5,8,13,16,19-20H,4,6-7,9-12,14-15H2,1-3H3,(H,27,31)
InChIKeyOEDFCAJPLNCWQD-UHFFFAOYSA-N
XLogP4.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide (CID 154849145) is N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide is CCn1cc(C(=O)N2CCC3(CC2)CC(NC(=O)c2ccc(C)cc2C)C3)c(C2CC2)n1.
What is the InChIKey of N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide?
The InChIKey is OEDFCAJPLNCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-30-16-22(23(28-30)19-6-7-19)25(32)29-11-9-26(10-12-29)14-20(15-26)27-24(31)21-8-5-17(2)13-18(21)3/h5,8,13,16,19-20H,4,6-7,9-12,14-15H2,1-3H3,(H,27,31).
What are the key properties of N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide?
N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide has a molecular weight of 434.58 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 154849145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).