4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine

C14H17ClN4O — CID 117472734

IUPAC4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(Cl)ccc2N2CCOCC2)c1N
InChIInChI=1S/C14H17ClN4O/c1-18-14(16)12(9-17-18)11-8-10(15)2-3-13(11)19-4-6-20-7-5-19/h2-3,8-9H,4-7,16H2,1H3
InChIKeyITJQASKZGJBMNG-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.16
Rot. Bonds2

About 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine

4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117472734) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117472734
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(Cl)ccc2N2CCOCC2)c1N
InChIInChI=1S/C14H17ClN4O/c1-18-14(16)12(9-17-18)11-8-10(15)2-3-13(11)19-4-6-20-7-5-19/h2-3,8-9H,4-7,16H2,1H3
InChIKeyITJQASKZGJBMNG-UHFFFAOYSA-N
XLogP2.16
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-5-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117465938
4-(5-fluoro-2-piperidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117438509
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
CID 117431613
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
5-chloro-2-morpholin-4-ylbenzenecarbothioamide
CID 62492802
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
4-amino-5-(5-chloro-2-morpholin-4-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328685
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
CID 117425635
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
4-(6-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382481

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine (CID 117472734) is 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cc(Cl)ccc2N2CCOCC2)c1N.
What is the InChIKey of 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is ITJQASKZGJBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-18-14(16)12(9-17-18)11-8-10(15)2-3-13(11)19-4-6-20-7-5-19/h2-3,8-9H,4-7,16H2,1H3.
What are the key properties of 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine?
4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 292.77 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117472734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).