1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid

C20H26N4O3 — CID 44823926

IUPAC1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)NC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C20H26N4O3/c1-23-18(16(14-21-23)20(26)27)19(25)22-17(15-8-4-2-5-9-15)10-13-24-11-6-3-7-12-24/h2,4-5,8-9,14,17H,3,6-7,10-13H2,1H3,(H,22,25)(H,26,27)
InChIKeyVMTNGXQHNCTXTM-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.47
Rot. Bonds7

About 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid

1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 44823926) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid
PubChem CID44823926
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)NC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C20H26N4O3/c1-23-18(16(14-21-23)20(26)27)19(25)22-17(15-8-4-2-5-9-15)10-13-24-11-6-3-7-12-24/h2,4-5,8-9,14,17H,3,6-7,10-13H2,1H3,(H,22,25)(H,26,27)
InChIKeyVMTNGXQHNCTXTM-UHFFFAOYSA-N
XLogP2.47
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 46975986
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
1-methyl-5-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29095617
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
5-[1-(1,3-benzothiazol-2-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 138028421
1-methyl-5-[[(1S)-1-(4-pyrrol-1-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29096037
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid (CID 44823926) is 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)NC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is VMTNGXQHNCTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-18(16(14-21-23)20(26)27)19(25)22-17(15-8-4-2-5-9-15)10-13-24-11-6-3-7-12-24/h2,4-5,8-9,14,17H,3,6-7,10-13H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 44823926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).