1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide

C19H19Cl2N7O3 — CID 162440073

IUPAC1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19Cl2N7O3/c20-13-2-1-3-14(21)18(13)28-10-15(17(25-28)19(22)30)24-12-8-23-27(9-12)11-16(29)26-4-6-31-7-5-26/h1-3,8-10,24H,4-7,11H2,(H2,22,30)
InChIKeyPSTVTQZFPFGOEX-UHFFFAOYSA-N
MW464.31 g/mol
LogP2.08
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide (PubChem CID 162440073) has the molecular formula C19H19Cl2N7O3 and a molecular weight of 464.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
PubChem CID162440073
Molecular FormulaC19H19Cl2N7O3
Molecular Weight464.31 g/mol
Exact Mass463.09
IUPAC Name1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19Cl2N7O3/c20-13-2-1-3-14(21)18(13)28-10-15(17(25-28)19(22)30)24-12-8-23-27(9-12)11-16(29)26-4-6-31-7-5-26/h1-3,8-10,24H,4-7,11H2,(H2,22,30)
InChIKeyPSTVTQZFPFGOEX-UHFFFAOYSA-N
XLogP2.08
TPSA120.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide (CID 162440073) is 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1cnn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide?
The InChIKey is PSTVTQZFPFGOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N7O3/c20-13-2-1-3-14(21)18(13)28-10-15(17(25-28)19(22)30)24-12-8-23-27(9-12)11-16(29)26-4-6-31-7-5-26/h1-3,8-10,24H,4-7,11H2,(H2,22,30).
What are the key properties of 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide?
1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide has a molecular weight of 464.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).