(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C14H25N3O2 — CID 114662048

IUPAC(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)C1(OC)CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-17-12(11(18-2)10-16-17)13(15)14(19-3)8-6-4-5-7-9-14/h10,13H,4-9,15H2,1-3H3
InChIKeyGRGHWCNSBZFKGE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.17
Rot. Bonds4

About (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 114662048) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID114662048
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)C1(OC)CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-17-12(11(18-2)10-16-17)13(15)14(19-3)8-6-4-5-7-9-14/h10,13H,4-9,15H2,1-3H3
InChIKeyGRGHWCNSBZFKGE-UHFFFAOYSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxy-4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662029
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661820
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
CID 105186271
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
CID 114650812
N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 103451587
2-(1-methoxycyclobutyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 103559895
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylcyclopentyl)methanol
CID 115836869
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
CID 114661786

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 114662048) is (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)C1(OC)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is GRGHWCNSBZFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-17-12(11(18-2)10-16-17)13(15)14(19-3)8-6-4-5-7-9-14/h10,13H,4-9,15H2,1-3H3.
What are the key properties of (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114662048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).