N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine

C16H23N3 — CID 79485017

IUPACN-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cccc(-c2[nH]ncc2CNCC(C)C)c1C
InChIInChI=1S/C16H23N3/c1-11(2)8-17-9-14-10-18-19-16(14)15-7-5-6-12(3)13(15)4/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyPWMLRZZTGHWCKP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds5

About N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79485017) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79485017
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cccc(-c2[nH]ncc2CNCC(C)C)c1C
InChIInChI=1S/C16H23N3/c1-11(2)8-17-9-14-10-18-19-16(14)15-7-5-6-12(3)13(15)4/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyPWMLRZZTGHWCKP-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,3-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484770
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(4-fluoro-3,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484518
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
N-[[5-(5-bromo-2-methylthiophen-3-yl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485105
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484850
4-[4-[(2-methylpropylamino)methyl]-1H-pyrazol-5-yl]benzonitrile
CID 79484688
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
2-methyl-N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485663
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-methyl-N-[[5-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79490650

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79485017) is N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1cccc(-c2[nH]ncc2CNCC(C)C)c1C.
What is the InChIKey of N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PWMLRZZTGHWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)8-17-9-14-10-18-19-16(14)15-7-5-6-12(3)13(15)4/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19).
What are the key properties of N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79485017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).