2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine

C16H23N3 — CID 55091573

IUPAC2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCc1cnn(Cc2ccc(CNCC(C)C)cc2)c1
InChIInChI=1S/C16H23N3/c1-13(2)8-17-10-15-4-6-16(7-5-15)12-19-11-14(3)9-18-19/h4-7,9,11,13,17H,8,10,12H2,1-3H3
InChIKeyQFNFGCPUEDXVIU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds6

About 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 55091573) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID55091573
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCc1cnn(Cc2ccc(CNCC(C)C)cc2)c1
InChIInChI=1S/C16H23N3/c1-13(2)8-17-10-15-4-6-16(7-5-15)12-19-11-14(3)9-18-19/h4-7,9,11,13,17H,8,10,12H2,1-3H3
InChIKeyQFNFGCPUEDXVIU-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073179
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62446699
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine
CID 105348581
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 55091573) is 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine is Cc1cnn(Cc2ccc(CNCC(C)C)cc2)c1.
What is the InChIKey of 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is QFNFGCPUEDXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)8-17-10-15-4-6-16(7-5-15)12-19-11-14(3)9-18-19/h4-7,9,11,13,17H,8,10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 55091573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).