N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine

C19H28ClN3O — CID 11703037

IUPACN-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOC(c1ccc(Cl)cc1)c1cnn(C)c1)C(C)C
InChIInChI=1S/C19H28ClN3O/c1-14(2)23(15(3)4)10-11-24-19(17-12-21-22(5)13-17)16-6-8-18(20)9-7-16/h6-9,12-15,19H,10-11H2,1-5H3
InChIKeyUUWATFBROOXJOP-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.30
Rot. Bonds8

About N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 11703037) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID11703037
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOC(c1ccc(Cl)cc1)c1cnn(C)c1)C(C)C
InChIInChI=1S/C19H28ClN3O/c1-14(2)23(15(3)4)10-11-24-19(17-12-21-22(5)13-17)16-6-8-18(20)9-7-16/h6-9,12-15,19H,10-11H2,1-5H3
InChIKeyUUWATFBROOXJOP-UHFFFAOYSA-N
XLogP4.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 11703037) is N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOC(c1ccc(Cl)cc1)c1cnn(C)c1)C(C)C.
What is the InChIKey of N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is UUWATFBROOXJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-14(2)23(15(3)4)10-11-24-19(17-12-21-22(5)13-17)16-6-8-18(20)9-7-16/h6-9,12-15,19H,10-11H2,1-5H3.
What are the key properties of N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 349.91 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 11703037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).