N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine

C15H20ClN3O — CID 116802209

IUPACN-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCn1cc(Oc2ccc(CNC(C)C)cc2Cl)cn1
InChIInChI=1S/C15H20ClN3O/c1-4-19-10-13(9-18-19)20-15-6-5-12(7-14(15)16)8-17-11(2)3/h5-7,9-11,17H,4,8H2,1-3H3
InChIKeyDMKUXDBNSLSRND-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.85
Rot. Bonds6

About N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine

N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 116802209) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID116802209
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCn1cc(Oc2ccc(CNC(C)C)cc2Cl)cn1
InChIInChI=1S/C15H20ClN3O/c1-4-19-10-13(9-18-19)20-15-6-5-12(7-14(15)16)8-17-11(2)3/h5-7,9-11,17H,4,8H2,1-3H3
InChIKeyDMKUXDBNSLSRND-UHFFFAOYSA-N
XLogP3.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-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

Related Compounds

1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 116802117
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116802102
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
N-[[3-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169860
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
(E)-3-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]prop-2-enoic acid
CID 116802431
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (CID 116802209) is N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is CCn1cc(Oc2ccc(CNC(C)C)cc2Cl)cn1.
What is the InChIKey of N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is DMKUXDBNSLSRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-19-10-13(9-18-19)20-15-6-5-12(7-14(15)16)8-17-11(2)3/h5-7,9-11,17H,4,8H2,1-3H3.
What are the key properties of N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 116802209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).