4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one

C12H19N5O2 — CID 102888154

IUPAC4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCCn1ncc(N)c1C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C12H19N5O2/c1-3-17-11(9(13)7-14-17)12(19)16-6-4-5-15(2)10(18)8-16/h7H,3-6,8,13H2,1-2H3
InChIKeyTVMBHNQWKGEVGX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.21
Rot. Bonds2

About 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888154) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888154
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCCn1ncc(N)c1C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C12H19N5O2/c1-3-17-11(9(13)7-14-17)12(19)16-6-4-5-15(2)10(18)8-16/h7H,3-6,8,13H2,1-2H3
InChIKeyTVMBHNQWKGEVGX-UHFFFAOYSA-N
XLogP-0.21
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102888154) is 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one is CCn1ncc(N)c1C(=O)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is TVMBHNQWKGEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-17-11(9(13)7-14-17)12(19)16-6-4-5-15(2)10(18)8-16/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).