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

C22H26ClN5O2 — CID 56833593

IUPAC3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCCN(CC)CCNC(=O)n1cc(-c2ccncc2)c(-c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C22H26ClN5O2/c1-4-27(5-2)13-12-25-22(29)28-15-18(16-8-10-24-11-9-16)21(26-28)17-6-7-19(23)20(14-17)30-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,29)
InChIKeyGHLGUZVYBSYFIO-UHFFFAOYSA-N
MW427.94 g/mol
LogP4.17
Rot. Bonds8

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

3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (PubChem CID 56833593) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
PubChem CID56833593
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCCN(CC)CCNC(=O)n1cc(-c2ccncc2)c(-c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C22H26ClN5O2/c1-4-27(5-2)13-12-25-22(29)28-15-18(16-8-10-24-11-9-16)21(26-28)17-6-7-19(23)20(14-17)30-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,29)
InChIKeyGHLGUZVYBSYFIO-UHFFFAOYSA-N
XLogP4.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164625093
1-[3-[3-(4-Chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 71739569
1-[3-[3-(4-Chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71739570
1-[3-[3-(4-Chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 71739571
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]urea
CID 71739572
N-[3-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]benzamide
CID 71739573
1-[3-[3-(3-Chloro-5-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 155533377
1-[3-[3-(3-Chloro-5-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-phenylurea
CID 155564397
1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)urea
CID 56649612
1-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(3,4-dichlorophenyl)urea
CID 56935207
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)urea
CID 56935208
(R)-methyl (6-(3-(1-(4-chloro-3-methoxyphenyl)ethyl)ureido)-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamate
CID 73505654

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (CID 56833593) is 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is CCN(CC)CCNC(=O)n1cc(-c2ccncc2)c(-c2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The InChIKey is GHLGUZVYBSYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-4-27(5-2)13-12-25-22(29)28-15-18(16-8-10-24-11-9-16)21(26-28)17-6-7-19(23)20(14-17)30-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,29).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
3-(4-chloro-3-methoxyphenyl)-N-[2-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 4.17, 8 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-(diethylamino)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is sourced from PubChem (CID 56833593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).