(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine

C15H20ClN3 — CID 105042475

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(C)cc1C
InChIInChI=1S/C15H20ClN3/c1-4-7-19-15(13(16)9-18-19)14(17)12-6-5-10(2)8-11(12)3/h5-6,8-9,14H,4,7,17H2,1-3H3
InChIKeyQIVOCKDXPHUVIK-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.61
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine (PubChem CID 105042475) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
PubChem CID105042475
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(C)cc1C
InChIInChI=1S/C15H20ClN3/c1-4-7-19-15(13(16)9-18-19)14(17)12-6-5-10(2)8-11(12)3/h5-6,8-9,14H,4,7,17H2,1-3H3
InChIKeyQIVOCKDXPHUVIK-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
CID 114659896
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238
1-(2-bromo-4-methylphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042561
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 105042604
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine (CID 105042475) is (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine is CCCn1ncc(Cl)c1C(N)c1ccc(C)cc1C.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is QIVOCKDXPHUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-7-19-15(13(16)9-18-19)14(17)12-6-5-10(2)8-11(12)3/h5-6,8-9,14H,4,7,17H2,1-3H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 277.80 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 105042475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).