4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine

C15H19ClN4O4 — CID 170871258

IUPAC4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine
SMILESO=[N+]([O-])c1nn(Cc2ccc(CCCN3CCOCC3)o2)cc1Cl
InChIInChI=1S/C15H19ClN4O4/c16-14-11-19(17-15(14)20(21)22)10-13-4-3-12(24-13)2-1-5-18-6-8-23-9-7-18/h3-4,11H,1-2,5-10H2
InChIKeyPMVFUNNCDZMPOK-UHFFFAOYSA-N
MW354.79 g/mol
LogP2.35
Rot. Bonds7

About 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine

4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine (PubChem CID 170871258) has the molecular formula C15H19ClN4O4 and a molecular weight of 354.79 g/mol. Its IUPAC name is 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine
PubChem CID170871258
Molecular FormulaC15H19ClN4O4
Molecular Weight354.79 g/mol
Exact Mass354.11
IUPAC Name4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine
SMILESO=[N+]([O-])c1nn(Cc2ccc(CCCN3CCOCC3)o2)cc1Cl
InChIInChI=1S/C15H19ClN4O4/c16-14-11-19(17-15(14)20(21)22)10-13-4-3-12(24-13)2-1-5-18-6-8-23-9-7-18/h3-4,11H,1-2,5-10H2
InChIKeyPMVFUNNCDZMPOK-UHFFFAOYSA-N
XLogP2.35
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541534
1-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propan-2-amine
CID 170865082
4-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]morpholine
CID 61175863
2-[[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]methylidene]propanedinitrile
CID 4767361
3-[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-yl]propan-1-amine
CID 170878751
4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
CID 170871274
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzoic acid
CID 840117
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
4-chloro-1-[(4-methylphenyl)methyl]-3-nitropyrazole
CID 17024843
4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
CID 23852668
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine (CID 170871258) is 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine is O=[N+]([O-])c1nn(Cc2ccc(CCCN3CCOCC3)o2)cc1Cl.
What is the InChIKey of 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine?
The InChIKey is PMVFUNNCDZMPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4/c16-14-11-19(17-15(14)20(21)22)10-13-4-3-12(24-13)2-1-5-18-6-8-23-9-7-18/h3-4,11H,1-2,5-10H2.
What are the key properties of 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine?
4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine has a molecular weight of 354.79 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine is sourced from PubChem (CID 170871258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).