1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid

C19H23N3O4 — CID 122118368

IUPAC1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)N3CC(C)CC(C(=O)O)C3)cn2)cc1
InChIInChI=1S/C19H23N3O4/c1-13-7-15(19(24)25)11-21(9-13)18(23)16-8-20-22(12-16)10-14-3-5-17(26-2)6-4-14/h3-6,8,12-13,15H,7,9-11H2,1-2H3,(H,24,25)
InChIKeyCKIIWSMVCRFOSM-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118368) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118368
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)N3CC(C)CC(C(=O)O)C3)cn2)cc1
InChIInChI=1S/C19H23N3O4/c1-13-7-15(19(24)25)11-21(9-13)18(23)16-8-20-22(12-16)10-14-3-5-17(26-2)6-4-14/h3-6,8,12-13,15H,7,9-11H2,1-2H3,(H,24,25)
InChIKeyCKIIWSMVCRFOSM-UHFFFAOYSA-N
XLogP2.12
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
CID 167745776
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
CID 119663438
5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122117281
1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119923
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
1-[4-(3-methoxypropoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118061
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122118368) is 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is COc1ccc(Cn2cc(C(=O)N3CC(C)CC(C(=O)O)C3)cn2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is CKIIWSMVCRFOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-7-15(19(24)25)11-21(9-13)18(23)16-8-20-22(12-16)10-14-3-5-17(26-2)6-4-14/h3-6,8,12-13,15H,7,9-11H2,1-2H3,(H,24,25).
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).