N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine

C17H17N3 — CID 79490409

IUPACN-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc2c(-c3[nH]ncc3CNC3CC3)cccc2c1
InChIInChI=1S/C17H17N3/c1-2-6-15-12(4-1)5-3-7-16(15)17-13(11-19-20-17)10-18-14-8-9-14/h1-7,11,14,18H,8-10H2,(H,19,20)
InChIKeyCEXWVTDLJUGDCE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.48
Rot. Bonds4

About N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine

N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 79490409) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine
PubChem CID79490409
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc2c(-c3[nH]ncc3CNC3CC3)cccc2c1
InChIInChI=1S/C17H17N3/c1-2-6-15-12(4-1)5-3-7-16(15)17-13(11-19-20-17)10-18-14-8-9-14/h1-7,11,14,18H,8-10H2,(H,19,20)
InChIKeyCEXWVTDLJUGDCE-UHFFFAOYSA-N
XLogP3.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(naphthalen-1-yl)-1H-pyrazole
CID 2737035
2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
4-[1-Hydroxy-3-(naphthalen-2-ylmethyl)pyrazol-4-yl]piperidine;hydrobromide
CID 49860112
4-[1-Hydroxy-5-(naphthalen-2-ylmethyl)pyrazol-4-yl]piperidine;hydrochloride
CID 49861353
(1R)-N-(1H-indazol-5-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 168295676
4-[5-(1-naphthyl)-1H-pyrazol-3-yl]piperidine
CID 1482145
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}propan-2-amine
CID 16187552
US9670136, 43 N1-((trans)-2-(4-(1H-pyrazol-5-yl)phenyl)cyclopropyl)cyclohexane-1,4-diamine
CID 71553658
3-(4-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}piperazin-1-yl)propanamide
CID 16190464
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
{1-[2-({[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]piperidin-2-yl}methanol
CID 16190815
4-(3-naphthalen-2-yl-1H-pyrazol-5-yl)piperidine
CID 11254426

Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine (CID 79490409) is N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine is c1ccc2c(-c3[nH]ncc3CNC3CC3)cccc2c1.
What is the InChIKey of N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is CEXWVTDLJUGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-6-15-12(4-1)5-3-7-16(15)17-13(11-19-20-17)10-18-14-8-9-14/h1-7,11,14,18H,8-10H2,(H,19,20).
What are the key properties of N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine?
N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 263.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79490409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).