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

C18H21N3O4 — CID 122119923

IUPAC1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C18H21N3O4/c1-11-7-13(18(23)24)10-21(9-11)17(22)15-8-19-20-16(15)12-3-5-14(25-2)6-4-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyMDMKAMRASSWODX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.27
Rot. Bonds4

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

1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119923) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119923
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C18H21N3O4/c1-11-7-13(18(23)24)10-21(9-11)17(22)15-8-19-20-16(15)12-3-5-14(25-2)6-4-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyMDMKAMRASSWODX-UHFFFAOYSA-N
XLogP2.27
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chlorophenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119592
(3-ethylazetidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 167850096
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 119636197
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119378470
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 70921389
3-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124689327
[3-(1-aminoethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 119593887
1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118368
(3S)-1-(5-pyridin-4-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129466182
1-(5-pyridin-4-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354808

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122119923) is 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is COc1ccc(-c2[nH]ncc2C(=O)N2CC(C)CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is MDMKAMRASSWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-7-13(18(23)24)10-21(9-11)17(22)15-8-19-20-16(15)12-3-5-14(25-2)6-4-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).