N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C16H23N3 — CID 66439681

IUPACN-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cnn(Cc2ccccc2)c1C(C)C
InChIInChI=1S/C16H23N3/c1-4-17-10-15-11-18-19(16(15)13(2)3)12-14-8-6-5-7-9-14/h5-9,11,13,17H,4,10,12H2,1-3H3
InChIKeyQYCDPLHBVKONJQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.16
Rot. Bonds6

About N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine

N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 66439681) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID66439681
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cnn(Cc2ccccc2)c1C(C)C
InChIInChI=1S/C16H23N3/c1-4-17-10-15-11-18-19(16(15)13(2)3)12-14-8-6-5-7-9-14/h5-9,11,13,17H,4,10,12H2,1-3H3
InChIKeyQYCDPLHBVKONJQ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66439602
N-[[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439994
N-[[1-[(2-chlorophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442604
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 63266059
N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66439775
1-(1-benzyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
CID 66441097
4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole
CID 66438814

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 66439681) is N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine is CCNCc1cnn(Cc2ccccc2)c1C(C)C.
What is the InChIKey of N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is QYCDPLHBVKONJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-10-15-11-18-19(16(15)13(2)3)12-14-8-6-5-7-9-14/h5-9,11,13,17H,4,10,12H2,1-3H3.
What are the key properties of N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66439681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).