3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

C17H26N4O — CID 75376872

IUPAC3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1nn(C)c(C)c1C1NC2(CCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C17H26N4O/c1-11-14(12(2)20(3)19-11)15-18-17(8-4-5-9-17)16(22)21(15)10-13-6-7-13/h13,15,18H,4-10H2,1-3H3
InChIKeyLPVWNWUIRSOGOM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds3

About 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 75376872) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID75376872
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1nn(C)c(C)c1C1NC2(CCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C17H26N4O/c1-11-14(12(2)20(3)19-11)15-18-17(8-4-5-9-17)16(22)21(15)10-13-6-7-13/h13,15,18H,4-10H2,1-3H3
InChIKeyLPVWNWUIRSOGOM-UHFFFAOYSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 75376872) is 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is Cc1nn(C)c(C)c1C1NC2(CCCC2)C(=O)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is LPVWNWUIRSOGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-11-14(12(2)20(3)19-11)15-18-17(8-4-5-9-17)16(22)21(15)10-13-6-7-13/h13,15,18H,4-10H2,1-3H3.
What are the key properties of 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 302.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 75376872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).