(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

C15H18ClN3O2 — CID 105183679

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1cccc2c1OCCO2
InChIInChI=1S/C15H18ClN3O2/c1-9(2)19-14(11(16)8-18-19)13(17)10-4-3-5-12-15(10)21-7-6-20-12/h3-5,8-9,13H,6-7,17H2,1-2H3
InChIKeyATYZPBCMXICEGL-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.94
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (PubChem CID 105183679) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
PubChem CID105183679
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1cccc2c1OCCO2
InChIInChI=1S/C15H18ClN3O2/c1-9(2)19-14(11(16)8-18-19)13(17)10-4-3-5-12-15(10)21-7-6-20-12/h3-5,8-9,13H,6-7,17H2,1-2H3
InChIKeyATYZPBCMXICEGL-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine 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

(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105076308
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylsulfonylphenyl)methanamine
CID 105041737
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 114645295

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (CID 105183679) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is CC(C)n1ncc(Cl)c1C(N)c1cccc2c1OCCO2.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The InChIKey is ATYZPBCMXICEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(2)19-14(11(16)8-18-19)13(17)10-4-3-5-12-15(10)21-7-6-20-12/h3-5,8-9,13H,6-7,17H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine has a molecular weight of 307.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is sourced from PubChem (CID 105183679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).