N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C16H22ClN3 — CID 63070188

IUPACN-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(-c2cccc(Cl)c2CNC(C)(C)C)n1
InChIInChI=1S/C16H22ClN3/c1-11-9-12(2)20(19-11)15-8-6-7-14(17)13(15)10-18-16(3,4)5/h6-9,18H,10H2,1-5H3
InChIKeyRPASIQPOUHPFPF-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.03
Rot. Bonds3

About N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63070188) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63070188
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(-c2cccc(Cl)c2CNC(C)(C)C)n1
InChIInChI=1S/C16H22ClN3/c1-11-9-12(2)20(19-11)15-8-6-7-14(17)13(15)10-18-16(3,4)5/h6-9,18H,10H2,1-5H3
InChIKeyRPASIQPOUHPFPF-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071720
N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072475
N-[[2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63808296
N-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293989
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62292753
N-[[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071512
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
N-[[3-(2,3-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451264
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114319883
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63070188) is N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)n(-c2cccc(Cl)c2CNC(C)(C)C)n1.
What is the InChIKey of N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RPASIQPOUHPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11-9-12(2)20(19-11)15-8-6-7-14(17)13(15)10-18-16(3,4)5/h6-9,18H,10H2,1-5H3.
What are the key properties of N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.83 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63070188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).