4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C20H24N4O3 — CID 91775235

IUPAC4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(24-10-7-14-3-1-2-4-16(14)13-24)15-5-8-23(9-6-15)12-17-11-21-22-18(17)20(26)27/h1-4,11,15H,5-10,12-13H2,(H,21,22)(H,26,27)
InChIKeyUROAMTRMDFWXPB-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.90
Rot. Bonds4

About 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 91775235) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID91775235
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(24-10-7-14-3-1-2-4-16(14)13-24)15-5-8-23(9-6-15)12-17-11-21-22-18(17)20(26)27/h1-4,11,15H,5-10,12-13H2,(H,21,22)(H,26,27)
InChIKeyUROAMTRMDFWXPB-UHFFFAOYSA-N
XLogP1.90
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-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

Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 2903769
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 94062326
4-(pyrrolidin-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216590
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
4-(2,3-dihydroindol-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216569
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2903750
[1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38143818
3,4-dihydro-1H-isoquinolin-2-yl-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38139731
2-(4-chlorophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 33335069
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 91775235) is 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UROAMTRMDFWXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(24-10-7-14-3-1-2-4-16(14)13-24)15-5-8-23(9-6-15)12-17-11-21-22-18(17)20(26)27/h1-4,11,15H,5-10,12-13H2,(H,21,22)(H,26,27).
What are the key properties of 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 91775235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).