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

C19H29N5O2 — CID 56887241

IUPAC4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCn1ccnc1CN1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1
InChIInChI=1S/C19H29N5O2/c1-4-9-23-13-8-20-17(23)14-22-11-6-19(7-12-22,18(25)26)24-10-5-16(21-24)15(2)3/h5,8,10,13,15H,4,6-7,9,11-12,14H2,1-3H3,(H,25,26)
InChIKeyPJTOXVQXMGUTAE-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.69
Rot. Bonds7

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

4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 56887241) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID56887241
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCn1ccnc1CN1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1
InChIInChI=1S/C19H29N5O2/c1-4-9-23-13-8-20-17(23)14-22-11-6-19(7-12-22,18(25)26)24-10-5-16(21-24)15(2)3/h5,8,10,13,15H,4,6-7,9,11-12,14H2,1-3H3,(H,25,26)
InChIKeyPJTOXVQXMGUTAE-UHFFFAOYSA-N
XLogP2.69
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid (CID 56887241) is 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid is CCCn1ccnc1CN1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1.
What is the InChIKey of 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is PJTOXVQXMGUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-9-23-13-8-20-17(23)14-22-11-6-19(7-12-22,18(25)26)24-10-5-16(21-24)15(2)3/h5,8,10,13,15H,4,6-7,9,11-12,14H2,1-3H3,(H,25,26).
What are the key properties of 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56887241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).