1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid

C20H21N5O3 — CID 29096210

IUPAC1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
SMILESCc1cc(N2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)nc2ccccc12
InChIInChI=1S/C20H21N5O3/c1-13-11-17(22-16-6-4-3-5-14(13)16)24-7-9-25(10-8-24)19(26)18-15(20(27)28)12-21-23(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)
InChIKeyCPINOUJJSXRCJD-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.94
Rot. Bonds3

About 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid

1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid (PubChem CID 29096210) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
PubChem CID29096210
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
SMILESCc1cc(N2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)nc2ccccc12
InChIInChI=1S/C20H21N5O3/c1-13-11-17(22-16-6-4-3-5-14(13)16)24-7-9-25(10-8-24)19(26)18-15(20(27)28)12-21-23(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)
InChIKeyCPINOUJJSXRCJD-UHFFFAOYSA-N
XLogP1.94
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
5-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095767
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 59706404
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-[3-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 46969927
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid (CID 29096210) is 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid is Cc1cc(N2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)nc2ccccc12.
What is the InChIKey of 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid?
The InChIKey is CPINOUJJSXRCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-11-17(22-16-6-4-3-5-14(13)16)24-7-9-25(10-8-24)19(26)18-15(20(27)28)12-21-23(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,27,28).
What are the key properties of 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid?
1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 29096210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).