N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine

C24H23N3O — CID 42098289

IUPACN-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
SMILESCOc1ccc2cc(-c3[nH]ncc3CNC3(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C24H23N3O/c1-28-22-10-9-17-13-19(8-7-18(17)14-22)23-20(16-26-27-23)15-25-24(11-12-24)21-5-3-2-4-6-21/h2-10,13-14,16,25H,11-12,15H2,1H3,(H,26,27)
InChIKeyKDCVWZRBDDGCEY-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.02
Rot. Bonds6

About N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine

N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine (PubChem CID 42098289) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
PubChem CID42098289
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
SMILESCOc1ccc2cc(-c3[nH]ncc3CNC3(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C24H23N3O/c1-28-22-10-9-17-13-19(8-7-18(17)14-22)23-20(16-26-27-23)15-25-24(11-12-24)21-5-3-2-4-6-21/h2-10,13-14,16,25H,11-12,15H2,1H3,(H,26,27)
InChIKeyKDCVWZRBDDGCEY-UHFFFAOYSA-N
XLogP5.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 79485160
2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45197233
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 42094203
5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42512816
N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 23724027
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
6-ethyl-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrimidin-3-ium-2-amine
CID 72889625
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
CID 75517162
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine?
The IUPAC name of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine (CID 42098289) is N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine?
The canonical SMILES for N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine is COc1ccc2cc(-c3[nH]ncc3CNC3(c4ccccc4)CC3)ccc2c1.
What is the InChIKey of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine?
The InChIKey is KDCVWZRBDDGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-28-22-10-9-17-13-19(8-7-18(17)14-22)23-20(16-26-27-23)15-25-24(11-12-24)21-5-3-2-4-6-21/h2-10,13-14,16,25H,11-12,15H2,1H3,(H,26,27).
What are the key properties of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine?
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine has a molecular weight of 369.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine is sourced from PubChem (CID 42098289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).