1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid

C16H19N3O2 — CID 136516250

IUPAC1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccc(-n3cccn3)cc2)CCCC1
InChIInChI=1S/C16H19N3O2/c20-15(21)16(8-1-2-9-16)17-12-13-4-6-14(7-5-13)19-11-3-10-18-19/h3-7,10-11,17H,1-2,8-9,12H2,(H,20,21)
InChIKeyUOKODEQXJOWYKC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.36
Rot. Bonds5

About 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid

1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid (PubChem CID 136516250) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
PubChem CID136516250
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccc(-n3cccn3)cc2)CCCC1
InChIInChI=1S/C16H19N3O2/c20-15(21)16(8-1-2-9-16)17-12-13-4-6-14(7-5-13)19-11-3-10-18-19/h3-7,10-11,17H,1-2,8-9,12H2,(H,20,21)
InChIKeyUOKODEQXJOWYKC-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol
CID 71849564
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81168085
1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 79857291
1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
CID 83006670

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid (CID 136516250) is 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid is O=C(O)C1(NCc2ccc(-n3cccn3)cc2)CCCC1.
What is the InChIKey of 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UOKODEQXJOWYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(21)16(8-1-2-9-16)17-12-13-4-6-14(7-5-13)19-11-3-10-18-19/h3-7,10-11,17H,1-2,8-9,12H2,(H,20,21).
What are the key properties of 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid?
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136516250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).