[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine

C13H23N3O — CID 65051805

IUPAC[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
SMILESCn1cc(COC2(CN)CCCCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-16-9-12(8-15-16)10-17-13(11-14)6-4-2-3-5-7-13/h8-9H,2-7,10-11,14H2,1H3
InChIKeyNQOMLMRMXSUOAC-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.99
Rot. Bonds4

About [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine

[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine (PubChem CID 65051805) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
PubChem CID65051805
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
SMILESCn1cc(COC2(CN)CCCCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-16-9-12(8-15-16)10-17-13(11-14)6-4-2-3-5-7-13/h8-9H,2-7,10-11,14H2,1H3
InChIKeyNQOMLMRMXSUOAC-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
CID 102999284
[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine
CID 65050650
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine
CID 65051683
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
CID 114534040
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine (CID 65051805) is [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine is Cn1cc(COC2(CN)CCCCCC2)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine?
The InChIKey is NQOMLMRMXSUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-9-12(8-15-16)10-17-13(11-14)6-4-2-3-5-7-13/h8-9H,2-7,10-11,14H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine?
[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine is sourced from PubChem (CID 65051805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).