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

C15H20ClN3 — CID 105041637

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1C
InChIInChI=1S/C15H20ClN3/c1-9(2)19-15(13(16)8-18-19)14(17)12-6-5-10(3)11(4)7-12/h5-9,14H,17H2,1-4H3
InChIKeyHUMIYUJVMQFBHD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.78
Rot. Bonds3

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine (PubChem CID 105041637) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
PubChem CID105041637
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1C
InChIInChI=1S/C15H20ClN3/c1-9(2)19-15(13(16)8-18-19)14(17)12-6-5-10(3)11(4)7-12/h5-9,14H,17H2,1-4H3
InChIKeyHUMIYUJVMQFBHD-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(3-bromo-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041750
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041746
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
CID 114651326
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylsulfonylphenyl)methanamine
CID 105041737
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105336741

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine (CID 105041637) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1C.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is HUMIYUJVMQFBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9(2)19-15(13(16)8-18-19)14(17)12-6-5-10(3)11(4)7-12/h5-9,14H,17H2,1-4H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 277.80 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 105041637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).