3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide

C17H11Cl2N5O2 — CID 108738030

IUPAC3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C17H11Cl2N5O2/c1-26-15-12(19)6-5-11(18)14(15)17(25)23-16-10(8-20)9-22-24(16)13-4-2-3-7-21-13/h2-7,9H,1H3,(H,23,25)
InChIKeyOKMRXDYXOMGPMM-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.71
Rot. Bonds4

About 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide

3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide (PubChem CID 108738030) has the molecular formula C17H11Cl2N5O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
PubChem CID108738030
Molecular FormulaC17H11Cl2N5O2
Molecular Weight388.21 g/mol
Exact Mass387.03
IUPAC Name3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C17H11Cl2N5O2/c1-26-15-12(19)6-5-11(18)14(15)17(25)23-16-10(8-20)9-22-24(16)13-4-2-3-7-21-13/h2-7,9H,1H3,(H,23,25)
InChIKeyOKMRXDYXOMGPMM-UHFFFAOYSA-N
XLogP3.71
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108760966
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108761002
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782597
methyl 4-[(E)-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 108738023
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 108760960
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
4-(4-bromo-2-chlorophenoxy)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)butanamide
CID 108761007

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide (CID 108738030) is 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)cnn1-c1ccccn1.
What is the InChIKey of 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
The InChIKey is OKMRXDYXOMGPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O2/c1-26-15-12(19)6-5-11(18)14(15)17(25)23-16-10(8-20)9-22-24(16)13-4-2-3-7-21-13/h2-7,9H,1H3,(H,23,25).
What are the key properties of 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide has a molecular weight of 388.21 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 108738030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).