N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine

C14H18BrN3 — CID 62112031

IUPACN-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C14H18BrN3/c1-14(2,3)16-9-12-8-13(18-17-12)10-4-6-11(15)7-5-10/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyGYEKAYAMSVDQSP-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.73
Rot. Bonds3

About N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62112031) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62112031
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C14H18BrN3/c1-14(2,3)16-9-12-8-13(18-17-12)10-4-6-11(15)7-5-10/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyGYEKAYAMSVDQSP-UHFFFAOYSA-N
XLogP3.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62112031) is N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GYEKAYAMSVDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-14(2,3)16-9-12-8-13(18-17-12)10-4-6-11(15)7-5-10/h4-8,16H,9H2,1-3H3,(H,17,18).
What are the key properties of N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62112031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).