N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C18H27N3 — CID 66442705

IUPACN-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1-c1cc(C)ccc1C
InChIInChI=1S/C18H27N3/c1-7-16-15(11-19-18(4,5)6)12-20-21(16)17-10-13(2)8-9-14(17)3/h8-10,12,19H,7,11H2,1-6H3
InChIKeyLQONMPSGHAMKPW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.94
Rot. Bonds4

About N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66442705) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66442705
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1-c1cc(C)ccc1C
InChIInChI=1S/C18H27N3/c1-7-16-15(11-19-18(4,5)6)12-20-21(16)17-10-13(2)8-9-14(17)3/h8-10,12,19H,7,11H2,1-6H3
InChIKeyLQONMPSGHAMKPW-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440161
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082
4-(bromomethyl)-1-(2,4-dimethylphenyl)-5-ethylpyrazole
CID 66437059
N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
N-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82528542
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442303
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441750
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66442705) is N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)cnn1-c1cc(C)ccc1C.
What is the InChIKey of N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LQONMPSGHAMKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-16-15(11-19-18(4,5)6)12-20-21(16)17-10-13(2)8-9-14(17)3/h8-10,12,19H,7,11H2,1-6H3.
What are the key properties of N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66442705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).