4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine

C17H24ClN3 — CID 43269808

IUPAC4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
SMILESCCCN(c1c(CCl)c(C)nn1-c1ccccc1)C(C)C
InChIInChI=1S/C17H24ClN3/c1-5-11-20(13(2)3)17-16(12-18)14(4)19-21(17)15-9-7-6-8-10-15/h6-10,13H,5,11-12H2,1-4H3
InChIKeyIGELIBJXSYFEKN-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.54
Rot. Bonds6

About 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine

4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine (PubChem CID 43269808) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
PubChem CID43269808
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
SMILESCCCN(c1c(CCl)c(C)nn1-c1ccccc1)C(C)C
InChIInChI=1S/C17H24ClN3/c1-5-11-20(13(2)3)17-16(12-18)14(4)19-21(17)15-9-7-6-8-10-15/h6-10,13H,5,11-12H2,1-4H3
InChIKeyIGELIBJXSYFEKN-UHFFFAOYSA-N
XLogP4.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-phenyl-5-[propan-2-yl(propyl)amino]pyrazole-4-carbaldehyde
CID 43269732
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
3-[[4-(chloromethyl)-3-methyl-1-phenylpyrazol-5-yl]-methylamino]propanenitrile
CID 28964428
4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine
CID 63954999
4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43280900
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
4-(chloromethyl)-N,3-dimethyl-N-(oxolan-3-yl)-1-phenylpyrazol-5-amine
CID 82730439
4-(bromomethyl)-N-butan-2-yl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080054
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
CID 43570330
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 43281591

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine (CID 43269808) is 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine is CCCN(c1c(CCl)c(C)nn1-c1ccccc1)C(C)C.
What is the InChIKey of 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine?
The InChIKey is IGELIBJXSYFEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-11-20(13(2)3)17-16(12-18)14(4)19-21(17)15-9-7-6-8-10-15/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine?
4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine has a molecular weight of 305.85 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine is sourced from PubChem (CID 43269808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).