2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid

C15H23N3O2 — CID 64784800

IUPAC2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(Cc1ccn(C2CCCCC2)n1)C1CC1
InChIInChI=1S/C15H23N3O2/c19-15(20)11-17(13-6-7-13)10-12-8-9-18(16-12)14-4-2-1-3-5-14/h8-9,13-14H,1-7,10-11H2,(H,19,20)
InChIKeyPBFMPJLOLZTBFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.44
Rot. Bonds6

About 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid

2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid (PubChem CID 64784800) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
PubChem CID64784800
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(Cc1ccn(C2CCCCC2)n1)C1CC1
InChIInChI=1S/C15H23N3O2/c19-15(20)11-17(13-6-7-13)10-12-8-9-18(16-12)14-4-2-1-3-5-14/h8-9,13-14H,1-7,10-11H2,(H,19,20)
InChIKeyPBFMPJLOLZTBFQ-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid
CID 64771325
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64779957
N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
CID 80673348
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801507

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid (CID 64784800) is 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid is O=C(O)CN(Cc1ccn(C2CCCCC2)n1)C1CC1.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid?
The InChIKey is PBFMPJLOLZTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(20)11-17(13-6-7-13)10-12-8-9-18(16-12)14-4-2-1-3-5-14/h8-9,13-14H,1-7,10-11H2,(H,19,20).
What are the key properties of 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid?
2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid has a molecular weight of 277.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 64784800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).