[4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone

C18H17ClN4O2 — CID 135523936

IUPAC[4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1
InChIInChI=1S/C18H17ClN4O2/c19-14-3-1-2-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-4-6-25-7-5-23/h1-3,8-11,20H,4-7H2,(H,21,22)
InChIKeyIQQCVFADEOAMTK-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.20
Rot. Bonds3

About [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone

[4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 135523936) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID135523936
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name[4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1
InChIInChI=1S/C18H17ClN4O2/c19-14-3-1-2-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-4-6-25-7-5-23/h1-3,8-11,20H,4-7H2,(H,21,22)
InChIKeyIQQCVFADEOAMTK-UHFFFAOYSA-N
XLogP3.20
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (CID 135523936) is [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1.
What is the InChIKey of [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IQQCVFADEOAMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-3-1-2-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-4-6-25-7-5-23/h1-3,8-11,20H,4-7H2,(H,21,22).
What are the key properties of [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
[4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 356.81 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 135523936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).