1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H25N5O2 — CID 56883343

IUPAC1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1ncc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)[nH]1
InChIInChI=1S/C17H25N5O2/c1-12(2)15-4-7-22(20-15)17(16(23)24)5-8-21(9-6-17)11-14-10-18-13(3)19-14/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,18,19)(H,23,24)
InChIKeyMHEBLKPJMXIZST-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.11
Rot. Bonds5

About 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56883343) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56883343
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1ncc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)[nH]1
InChIInChI=1S/C17H25N5O2/c1-12(2)15-4-7-22(20-15)17(16(23)24)5-8-21(9-6-17)11-14-10-18-13(3)19-14/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,18,19)(H,23,24)
InChIKeyMHEBLKPJMXIZST-UHFFFAOYSA-N
XLogP2.11
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56883343) is 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1ncc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)[nH]1.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is MHEBLKPJMXIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)15-4-7-22(20-15)17(16(23)24)5-8-21(9-6-17)11-14-10-18-13(3)19-14/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,18,19)(H,23,24).
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56883343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).