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

C20H22ClN5O2 — CID 56833592

IUPAC3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN(C)C)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C20H22ClN5O2/c1-25(2)11-10-23-20(27)26-13-16(14-6-8-22-9-7-14)19(24-26)15-4-5-17(21)18(12-15)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)
InChIKeyZOWNNOWIRYUCJY-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.39
Rot. Bonds6

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

3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (PubChem CID 56833592) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
PubChem CID56833592
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN(C)C)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C20H22ClN5O2/c1-25(2)11-10-23-20(27)26-13-16(14-6-8-22-9-7-14)19(24-26)15-4-5-17(21)18(12-15)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)
InChIKeyZOWNNOWIRYUCJY-UHFFFAOYSA-N
XLogP3.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
CID 56833685
3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
CID 142712061
N-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 56935210
3,5-dichloro-N-[4-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]benzamide
CID 142712058
1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
CID 112769964
2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide
CID 10113433
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
N-[2-(dimethylamino)ethyl]pyrazole-1-carboxamide
CID 141081181

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (CID 56833592) is 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is COc1cc(-c2nn(C(=O)NCCN(C)C)cc2-c2ccncc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The InChIKey is ZOWNNOWIRYUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-25(2)11-10-23-20(27)26-13-16(14-6-8-22-9-7-14)19(24-26)15-4-5-17(21)18(12-15)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,27).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
3-(4-chloro-3-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.39, 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-(dimethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is sourced from PubChem (CID 56833592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).