N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine

C15H21N3 — CID 79409847

IUPACN,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine
SMILESCNCC(C)C(C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-12(9-16-3)13(2)18-11-15(10-17-18)14-7-5-4-6-8-14/h4-8,10-13,16H,9H2,1-3H3
InChIKeyBWMAMOZQUVBADJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.97
Rot. Bonds5

About N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine

N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine (PubChem CID 79409847) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine
PubChem CID79409847
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine
SMILESCNCC(C)C(C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-12(9-16-3)13(2)18-11-15(10-17-18)14-7-5-4-6-8-14/h4-8,10-13,16H,9H2,1-3H3
InChIKeyBWMAMOZQUVBADJ-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine (CID 79409847) is N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine is CNCC(C)C(C)n1cc(-c2ccccc2)cn1.
What is the InChIKey of N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine?
The InChIKey is BWMAMOZQUVBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(9-16-3)13(2)18-11-15(10-17-18)14-7-5-4-6-8-14/h4-8,10-13,16H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine?
N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 79409847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).