1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide

C17H29N3O2 — CID 50981835

IUPAC1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)CCC1
InChIInChI=1S/C17H29N3O2/c1-12(2)20(10-15-13(3)18-19(5)14(15)4)16(21)17(11-22-6)8-7-9-17/h12H,7-11H2,1-6H3
InChIKeyISJCMVVTCJXLMI-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.59
Rot. Bonds6

About 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 50981835) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
PubChem CID50981835
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)CCC1
InChIInChI=1S/C17H29N3O2/c1-12(2)20(10-15-13(3)18-19(5)14(15)4)16(21)17(11-22-6)8-7-9-17/h12H,7-11H2,1-6H3
InChIKeyISJCMVVTCJXLMI-UHFFFAOYSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72863989
3,3-Dimethyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 118740636
1-{1-Methoxy-7-azaspiro[3.5]nonan-7-YL}-3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propan-1-one
CID 124045363
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide
CID 35761025
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 50848936
N-(3-hydroxypropyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 54916764
(4-Methyloxan-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56779621
2-(3-methoxypropyl)-9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70768243
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 72004122
N-cyclobutyl-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylacetamide
CID 72125499
2-(Oxolan-2-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72143545
N-isopropyl-1-(tetrahydro-2H-pyran-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 74238332

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide (CID 50981835) is 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide is COCC1(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is ISJCMVVTCJXLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)20(10-15-13(3)18-19(5)14(15)4)16(21)17(11-22-6)8-7-9-17/h12H,7-11H2,1-6H3.
What are the key properties of 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 50981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).