2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid

C15H19N3O2 — CID 43631537

IUPAC2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cnn(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C15H19N3O2/c1-2-6-14(15(19)20)16-9-12-10-17-18(11-12)13-7-4-3-5-8-13/h3-5,7-8,10-11,14,16H,2,6,9H2,1H3,(H,19,20)
InChIKeyKMPARAVCAFRWJV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds7

About 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid

2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid (PubChem CID 43631537) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
PubChem CID43631537
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cnn(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C15H19N3O2/c1-2-6-14(15(19)20)16-9-12-10-17-18(11-12)13-7-4-3-5-8-13/h3-5,7-8,10-11,14,16H,2,6,9H2,1H3,(H,19,20)
InChIKeyKMPARAVCAFRWJV-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(2S)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 120615170
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
2-(4-methylphenyl)-2-[(1-phenylpyrazol-4-yl)methylamino]acetic acid
CID 86784996
(2S)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]hexanoic acid
CID 120615364
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid (CID 43631537) is 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid is CCCC(NCc1cnn(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid?
The InChIKey is KMPARAVCAFRWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-6-14(15(19)20)16-9-12-10-17-18(11-12)13-7-4-3-5-8-13/h3-5,7-8,10-11,14,16H,2,6,9H2,1H3,(H,19,20).
What are the key properties of 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid?
2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).