2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid

C14H23N3O2 — CID 65240402

IUPAC2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
SMILESCN(Cc1ccnn1C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(11-12-6-9-15-17(12)2)14(10-13(18)19)7-4-3-5-8-14/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyVPWDVDAEIAOTRB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid

2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid (PubChem CID 65240402) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
PubChem CID65240402
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
SMILESCN(Cc1ccnn1C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(11-12-6-9-15-17(12)2)14(10-13(18)19)7-4-3-5-8-14/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyVPWDVDAEIAOTRB-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[[(2-methylpyrazol-3-yl)methylamino]methyl]cyclohexane-1-carboxylate
CID 86788973
1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 137832393
1-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 175176359
2-[3-(Trifluoromethyl)pyrazol-1-yl]cycloheptane-1-carboxylic acid
CID 55180508
4-Ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 63072714
4-Propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 63072715
2-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 63075320
4-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 63075321
1-[Methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120540030
2-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546006
1-[[2-(2,2-Difluoroethyl)pyrazol-3-yl]methyl]-1-azaspiro[5.5]undecane-3-carboxylic acid
CID 166295357
2-(1-Methylcyclohexyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]acetic acid
CID 167821090

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid (CID 65240402) is 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid is CN(Cc1ccnn1C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid?
The InChIKey is VPWDVDAEIAOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(11-12-6-9-15-17(12)2)14(10-13(18)19)7-4-3-5-8-14/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid?
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid has a molecular weight of 265.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).