2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid

C15H25N3O2 — CID 102631023

IUPAC2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC1C(NCc2ccnn2C)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-10-13(16-9-11-7-8-17-18(11)4)6-5-12(14(19)20)15(10,2)3/h7-8,10,12-13,16H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyMZPPMGZGNCMYSY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.04
Rot. Bonds4

About 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 102631023) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID102631023
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC1C(NCc2ccnn2C)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-10-13(16-9-11-7-8-17-18(11)4)6-5-12(14(19)20)15(10,2)3/h7-8,10,12-13,16H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyMZPPMGZGNCMYSY-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43663217
(1S,6R)-6-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 26871279
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120546524
2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 102628098

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid (CID 102631023) is 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid is CC1C(NCc2ccnn2C)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MZPPMGZGNCMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-13(16-9-11-7-8-17-18(11)4)6-5-12(14(19)20)15(10,2)3/h7-8,10,12-13,16H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102631023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).