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

C16H23N3 — CID 79485257

IUPACN-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(-c2[nH]ncc2CNC(C)(C)C)cc1
InChIInChI=1S/C16H23N3/c1-5-12-6-8-13(9-7-12)15-14(11-18-19-15)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyMICRMXYBYHNODO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.53
Rot. Bonds4

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

N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79485257) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79485257
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(-c2[nH]ncc2CNC(C)(C)C)cc1
InChIInChI=1S/C16H23N3/c1-5-12-6-8-13(9-7-12)15-14(11-18-19-15)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyMICRMXYBYHNODO-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
CID 112839432
N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79490434
N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79484927
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 126456890
2-methyl-N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79490632
2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114080516
5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 61395345
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 42518974
N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79484926
5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096341
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79485257) is N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1ccc(-c2[nH]ncc2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MICRMXYBYHNODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-12-6-8-13(9-7-12)15-14(11-18-19-15)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3,(H,18,19).
What are the key properties of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79485257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).