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

C15H18BrF2N3 — CID 66442122

IUPACN-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(-c2ccccc2Br)c1C(F)F
InChIInChI=1S/C15H18BrF2N3/c1-15(2,3)19-8-10-9-20-21(13(10)14(17)18)12-7-5-4-6-11(12)16/h4-7,9,14,19H,8H2,1-3H3
InChIKeyZSCOPXKZAKHJDK-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.46
Rot. Bonds4

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

N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66442122) has the molecular formula C15H18BrF2N3 and a molecular weight of 358.23 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66442122
Molecular FormulaC15H18BrF2N3
Molecular Weight358.23 g/mol
Exact Mass357.07
IUPAC NameN-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(-c2ccccc2Br)c1C(F)F
InChIInChI=1S/C15H18BrF2N3/c1-15(2,3)19-8-10-9-20-21(13(10)14(17)18)12-7-5-4-6-11(12)16/h4-7,9,14,19H,8H2,1-3H3
InChIKeyZSCOPXKZAKHJDK-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66440309
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
N-[[1-(2-bromophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441924
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082
4-(bromomethyl)-1-(2-chlorophenyl)-5-(difluoromethyl)pyrazole
CID 66436625
N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440265
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66442122) is N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnn(-c2ccccc2Br)c1C(F)F.
What is the InChIKey of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZSCOPXKZAKHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2N3/c1-15(2,3)19-8-10-9-20-21(13(10)14(17)18)12-7-5-4-6-11(12)16/h4-7,9,14,19H,8H2,1-3H3.
What are the key properties of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 358.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66442122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).