N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide

C16H19ClN4O2 — CID 8903865

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C16H19ClN4O2/c1-20-15(18-16(22)11-21-6-8-23-9-7-21)10-14(19-20)12-2-4-13(17)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,18,22)
InChIKeyVMKMJNGHXRAOGE-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.01
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 8903865) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide
PubChem CID8903865
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C16H19ClN4O2/c1-20-15(18-16(22)11-21-6-8-23-9-7-21)10-14(19-20)12-2-4-13(17)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,18,22)
InChIKeyVMKMJNGHXRAOGE-UHFFFAOYSA-N
XLogP2.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542558
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759291
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8007009
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7797570
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529166
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121051681
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide (CID 8903865) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide?
The InChIKey is VMKMJNGHXRAOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20-15(18-16(22)11-21-6-8-23-9-7-21)10-14(19-20)12-2-4-13(17)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,18,22).
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 334.81 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 8903865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).