3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide

C24H28ClN5O2 — CID 56833685

IUPAC3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN3CCCCC3C)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C24H28ClN5O2/c1-17-5-3-4-13-29(17)14-12-27-24(31)30-16-20(18-8-10-26-11-9-18)23(28-30)19-6-7-21(25)22(15-19)32-2/h6-11,15-17H,3-5,12-14H2,1-2H3,(H,27,31)
InChIKeyAUQRPRWJFKGTOG-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.71
Rot. Bonds6

About 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide

3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (PubChem CID 56833685) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
PubChem CID56833685
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN3CCCCC3C)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C24H28ClN5O2/c1-17-5-3-4-13-29(17)14-12-27-24(31)30-16-20(18-8-10-26-11-9-18)23(28-30)19-6-7-21(25)22(15-19)32-2/h6-11,15-17H,3-5,12-14H2,1-2H3,(H,27,31)
InChIKeyAUQRPRWJFKGTOG-UHFFFAOYSA-N
XLogP4.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
CID 142712061
3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
CID 56833592
3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrazole-1-carboxamide
CID 53483674
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 95050767
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 97256526
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 129454956
N-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 56935210
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (CID 56833685) is 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is COc1cc(-c2nn(C(=O)NCCN3CCCCC3C)cc2-c2ccncc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The InChIKey is AUQRPRWJFKGTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-17-5-3-4-13-29(17)14-12-27-24(31)30-16-20(18-8-10-26-11-9-18)23(28-30)19-6-7-21(25)22(15-19)32-2/h6-11,15-17H,3-5,12-14H2,1-2H3,(H,27,31).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is sourced from PubChem (CID 56833685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).