1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C19H30N4O — CID 70758885

IUPAC1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1
InChIInChI=1S/C19H30N4O/c1-15-9-20-23(10-15)8-7-19(24)22-13-17-5-6-18(14-22)21(12-17)11-16-3-2-4-16/h9-10,16-18H,2-8,11-14H2,1H3/t17-,18-/m1/s1
InChIKeyUJGNNIXLEYGBHR-QZTJIDSGSA-N
MW330.48 g/mol
LogP2.30
Rot. Bonds5

About 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 70758885) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID70758885
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1
InChIInChI=1S/C19H30N4O/c1-15-9-20-23(10-15)8-7-19(24)22-13-17-5-6-18(14-22)21(12-17)11-16-3-2-4-16/h9-10,16-18H,2-8,11-14H2,1H3/t17-,18-/m1/s1
InChIKeyUJGNNIXLEYGBHR-QZTJIDSGSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 70758885) is 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1.
What is the InChIKey of 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is UJGNNIXLEYGBHR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-9-20-23(10-15)8-7-19(24)22-13-17-5-6-18(14-22)21(12-17)11-16-3-2-4-16/h9-10,16-18H,2-8,11-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 330.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 70758885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).