N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine

C17H25N3 — CID 65196878

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCc1nn(C)cc1C(C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-13(16-11-20(5)19-14(16)2)18-12-17(3,4)15-9-7-6-8-10-15/h6-11,13,18H,12H2,1-5H3
InChIKeyKEXLEYNRBSQTDN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 65196878) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID65196878
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCc1nn(C)cc1C(C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-13(16-11-20(5)19-14(16)2)18-12-17(3,4)15-9-7-6-8-10-15/h6-11,13,18H,12H2,1-5H3
InChIKeyKEXLEYNRBSQTDN-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 65197434
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
CID 60988135
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626620

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine (CID 65196878) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine is Cc1nn(C)cc1C(C)NCC(C)(C)c1ccccc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is KEXLEYNRBSQTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(16-11-20(5)19-14(16)2)18-12-17(3,4)15-9-7-6-8-10-15/h6-11,13,18H,12H2,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65196878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).