N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C17H24ClN3 — CID 114854597

IUPACN-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)c1ccn(-c2ccc(Cl)cc2CNC(C)(C)C)n1
InChIInChI=1S/C17H24ClN3/c1-12(2)15-8-9-21(20-15)16-7-6-14(18)10-13(16)11-19-17(3,4)5/h6-10,12,19H,11H2,1-5H3
InChIKeySLKJCNILWDHMAL-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.54
Rot. Bonds4

About N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114854597) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114854597
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)c1ccn(-c2ccc(Cl)cc2CNC(C)(C)C)n1
InChIInChI=1S/C17H24ClN3/c1-12(2)15-8-9-21(20-15)16-7-6-14(18)10-13(16)11-19-17(3,4)5/h6-10,12,19H,11H2,1-5H3
InChIKeySLKJCNILWDHMAL-UHFFFAOYSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 114854597) is N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CC(C)c1ccn(-c2ccc(Cl)cc2CNC(C)(C)C)n1.
What is the InChIKey of N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SLKJCNILWDHMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-12(2)15-8-9-21(20-15)16-7-6-14(18)10-13(16)11-19-17(3,4)5/h6-10,12,19H,11H2,1-5H3.
What are the key properties of N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114854597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).