1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid

C19H24N4O3 — CID 29095973

IUPAC1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
SMILESCC1CCN(c2ccc(CNC(=O)c3c(C(=O)O)cnn3C)cc2)CC1
InChIInChI=1S/C19H24N4O3/c1-13-7-9-23(10-8-13)15-5-3-14(4-6-15)11-20-18(24)17-16(19(25)26)12-21-22(17)2/h3-6,12-13H,7-11H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyIYQWNOSHOBCSDP-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.28
Rot. Bonds5

About 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid

1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid (PubChem CID 29095973) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
PubChem CID29095973
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
SMILESCC1CCN(c2ccc(CNC(=O)c3c(C(=O)O)cnn3C)cc2)CC1
InChIInChI=1S/C19H24N4O3/c1-13-7-9-23(10-8-13)15-5-3-14(4-6-15)11-20-18(24)17-16(19(25)26)12-21-22(17)2/h3-6,12-13H,7-11H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyIYQWNOSHOBCSDP-UHFFFAOYSA-N
XLogP2.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
N-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827829
1-methyl-4-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623851
N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827954
1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631898
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
1-methyl-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 166284928
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid (CID 29095973) is 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid is CC1CCN(c2ccc(CNC(=O)c3c(C(=O)O)cnn3C)cc2)CC1.
What is the InChIKey of 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is IYQWNOSHOBCSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-7-9-23(10-8-13)15-5-3-14(4-6-15)11-20-18(24)17-16(19(25)26)12-21-22(17)2/h3-6,12-13H,7-11H2,1-2H3,(H,20,24)(H,25,26).
What are the key properties of 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 29095973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).