N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine

C15H21N3 — CID 10752767

IUPACN,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine
SMILESCN(C)CCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H21N3/c1-18(2)11-7-6-10-14-12-15(17-16-14)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,16,17)
InChIKeyADOLADYCDCEOTB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.96
Rot. Bonds6

About N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine

N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine (PubChem CID 10752767) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine
PubChem CID10752767
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine
SMILESCN(C)CCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H21N3/c1-18(2)11-7-6-10-14-12-15(17-16-14)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,16,17)
InChIKeyADOLADYCDCEOTB-UHFFFAOYSA-N
XLogP2.96
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine (CID 10752767) is N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine is CN(C)CCCCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine?
The InChIKey is ADOLADYCDCEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18(2)11-7-6-10-14-12-15(17-16-14)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine?
N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine is sourced from PubChem (CID 10752767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).