4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline

C15H22N4 — CID 105103926

IUPAC4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
SMILESCCCn1cc(C(N)c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C15H22N4/c1-4-9-19-11-13(10-17-19)15(16)12-5-7-14(8-6-12)18(2)3/h5-8,10-11,15H,4,9,16H2,1-3H3
InChIKeyZFHRGAXPCWFPKG-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds5

About 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline

4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline (PubChem CID 105103926) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
PubChem CID105103926
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
SMILESCCCn1cc(C(N)c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C15H22N4/c1-4-9-19-11-13(10-17-19)15(16)12-5-7-14(8-6-12)18(2)3/h5-8,10-11,15H,4,9,16H2,1-3H3
InChIKeyZFHRGAXPCWFPKG-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105109386
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline (CID 105103926) is 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline is CCCn1cc(C(N)c2ccc(N(C)C)cc2)cn1.
What is the InChIKey of 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The InChIKey is ZFHRGAXPCWFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-9-19-11-13(10-17-19)15(16)12-5-7-14(8-6-12)18(2)3/h5-8,10-11,15H,4,9,16H2,1-3H3.
What are the key properties of 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline has a molecular weight of 258.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105103926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).