methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate

C14H23N3O2 — CID 75433750

IUPACmethyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N(C)Cc2cnn(C)c2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(10-12-9-15-17(2)11-12)14(13(18)19-3)7-5-4-6-8-14/h9,11H,4-8,10H2,1-3H3
InChIKeyNXWLKDGESZDBIT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds4

About methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate

methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate (PubChem CID 75433750) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate
PubChem CID75433750
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N(C)Cc2cnn(C)c2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(10-12-9-15-17(2)11-12)14(13(18)19-3)7-5-4-6-8-14/h9,11H,4-8,10H2,1-3H3
InChIKeyNXWLKDGESZDBIT-UHFFFAOYSA-N
XLogP1.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65009934
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61438311
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781

Frequently Asked Questions

What is the IUPAC name of methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate (CID 75433750) is methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(N(C)Cc2cnn(C)c2)CCCCC1.
What is the InChIKey of methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate?
The InChIKey is NXWLKDGESZDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(10-12-9-15-17(2)11-12)14(13(18)19-3)7-5-4-6-8-14/h9,11H,4-8,10H2,1-3H3.
What are the key properties of methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate?
methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 75433750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).