(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C11H18N4O2 — CID 65353954

IUPAC(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2nn(C)cc2N)CCCO1
InChIInChI=1S/C11H18N4O2/c1-8-6-15(4-3-5-17-8)11(16)10-9(12)7-14(2)13-10/h7-8H,3-6,12H2,1-2H3
InChIKeyVHFKRDLTEJVMAU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.25
Rot. Bonds1

About (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 65353954) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID65353954
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2nn(C)cc2N)CCCO1
InChIInChI=1S/C11H18N4O2/c1-8-6-15(4-3-5-17-8)11(16)10-9(12)7-14(2)13-10/h7-8H,3-6,12H2,1-2H3
InChIKeyVHFKRDLTEJVMAU-UHFFFAOYSA-N
XLogP0.25
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211043
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209806
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 65355642
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-amino-1-methylpyrazol-3-yl)methanone
CID 65354072
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 65353954) is (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2nn(C)cc2N)CCCO1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is VHFKRDLTEJVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-6-15(4-3-5-17-8)11(16)10-9(12)7-14(2)13-10/h7-8H,3-6,12H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 65353954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).