N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine

C17H25N3 — CID 61369671

IUPACN-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(CC(C)C)c1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-10-18-11-16-12-19-20(13-14(2)3)17(16)15-8-6-5-7-9-15/h5-9,12,14,18H,4,10-11,13H2,1-3H3
InChIKeyARHPXXCXFACYNJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.71
Rot. Bonds7

About N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine

N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 61369671) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID61369671
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(CC(C)C)c1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-10-18-11-16-12-19-20(13-14(2)3)17(16)15-8-6-5-7-9-15/h5-9,12,14,18H,4,10-11,13H2,1-3H3
InChIKeyARHPXXCXFACYNJ-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62447516
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-2-phenylethanamine
CID 122165910
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine
CID 66440753
N-[[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439994
N-[[1-(2-bromophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441924
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441610
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 66439681
N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 133108212
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 64778333

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine (CID 61369671) is N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(CC(C)C)c1-c1ccccc1.
What is the InChIKey of N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is ARHPXXCXFACYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-11-16-12-19-20(13-14(2)3)17(16)15-8-6-5-7-9-15/h5-9,12,14,18H,4,10-11,13H2,1-3H3.
What are the key properties of N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 61369671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).