(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one

C14H24N4O — CID 95142036

IUPAC(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
SMILESCCCn1ncc(CN2CCC(=O)NC[C@H]2C)c1C
InChIInChI=1S/C14H24N4O/c1-4-6-18-12(3)13(9-16-18)10-17-7-5-14(19)15-8-11(17)2/h9,11H,4-8,10H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyXDTNVABIUBISOJ-LLVKDONJSA-N
MW264.37 g/mol
LogP1.31
Rot. Bonds4

About (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one

(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one (PubChem CID 95142036) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
PubChem CID95142036
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
SMILESCCCn1ncc(CN2CCC(=O)NC[C@H]2C)c1C
InChIInChI=1S/C14H24N4O/c1-4-6-18-12(3)13(9-16-18)10-17-7-5-14(19)15-8-11(17)2/h9,11H,4-8,10H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyXDTNVABIUBISOJ-LLVKDONJSA-N
XLogP1.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one?
The IUPAC name of (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one (CID 95142036) is (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one is CCCn1ncc(CN2CCC(=O)NC[C@H]2C)c1C.
What is the InChIKey of (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one?
The InChIKey is XDTNVABIUBISOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-6-18-12(3)13(9-16-18)10-17-7-5-14(19)15-8-11(17)2/h9,11H,4-8,10H2,1-3H3,(H,15,19)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one?
(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one has a molecular weight of 264.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 95142036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).