N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C19H16ClN3O3 — CID 118724367

IUPACN-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)ccc1Cl
InChIInChI=1S/C19H16ClN3O3/c1-25-17-8-13(6-7-15(17)20)22-18(24)10-23-19-12(9-21-23)11-26-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyXDGHVUOLZMZTRA-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.74
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 118724367) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID118724367
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)ccc1Cl
InChIInChI=1S/C19H16ClN3O3/c1-25-17-8-13(6-7-15(17)20)22-18(24)10-23-19-12(9-21-23)11-26-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyXDGHVUOLZMZTRA-UHFFFAOYSA-N
XLogP3.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Chloro-3-Methoxyphenyl)-2-(4-Oxochromeno[4,3-C]pyrazol-1(4h)-Yl)acetamide
CID 73332002
N-(3-chlorophenyl)-2-chromeno[4,3-c]pyrazol-1(4H)-ylacetamide
CID 9550923
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-phenyl-N-(prop-2-EN-1-YL)acetamide
CID 9550937
N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide
CID 118724365
N-(4-chloro-3-methoxy-phenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide
CID 118724368
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-1-[4-(3-methoxyphenyl)piperazin-1-YL]ethan-1-one
CID 16010698
1-[4-(4-Chloro-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070990
1-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}ethan-1-one
CID 16010626
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-(2-methoxyphenyl)acetamide
CID 9550433
N-(4-Chloro-2-methoxy-5-methylphenyl)-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 16010620
N-(5-Chloro-2-methoxyphenyl)-N-ethyl-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 16010622
N-(3-Chloro-4-methoxyphenyl)-2-{1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 16010665

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 118724367) is N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is XDGHVUOLZMZTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-25-17-8-13(6-7-15(17)20)22-18(24)10-23-19-12(9-21-23)11-26-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 118724367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).