4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid

C17H25N5O2 — CID 56904677

IUPAC4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCn1ccnc1CN1CCC(C(=O)O)(n2cc(C)cn2)CC1
InChIInChI=1S/C17H25N5O2/c1-3-7-21-10-6-18-15(21)13-20-8-4-17(5-9-20,16(23)24)22-12-14(2)11-19-22/h6,10-12H,3-5,7-9,13H2,1-2H3,(H,23,24)
InChIKeyNKTPYSJTUWWVQE-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.87
Rot. Bonds6

About 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 56904677) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID56904677
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCn1ccnc1CN1CCC(C(=O)O)(n2cc(C)cn2)CC1
InChIInChI=1S/C17H25N5O2/c1-3-7-21-10-6-18-15(21)13-20-8-4-17(5-9-20,16(23)24)22-12-14(2)11-19-22/h6,10-12H,3-5,7-9,13H2,1-2H3,(H,23,24)
InChIKeyNKTPYSJTUWWVQE-UHFFFAOYSA-N
XLogP1.87
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid (CID 56904677) is 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid is CCCn1ccnc1CN1CCC(C(=O)O)(n2cc(C)cn2)CC1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is NKTPYSJTUWWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-7-21-10-6-18-15(21)13-20-8-4-17(5-9-20,16(23)24)22-12-14(2)11-19-22/h6,10-12H,3-5,7-9,13H2,1-2H3,(H,23,24).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56904677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).