N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine

C16H21N3O — CID 65441861

IUPACN-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CCn2nccc2CNC2CC2)cc1
InChIInChI=1S/C16H21N3O/c1-20-16-6-2-13(3-7-16)9-11-19-15(8-10-18-19)12-17-14-4-5-14/h2-3,6-8,10,14,17H,4-5,9,11-12H2,1H3
InChIKeyQYXUIPBHKIXHRM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds7

About N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine

N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 65441861) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID65441861
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CCn2nccc2CNC2CC2)cc1
InChIInChI=1S/C16H21N3O/c1-20-16-6-2-13(3-7-16)9-11-19-15(8-10-18-19)12-17-14-4-5-14/h2-3,6-8,10,14,17H,4-5,9,11-12H2,1H3
InChIKeyQYXUIPBHKIXHRM-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 65441861) is N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine is COc1ccc(CCn2nccc2CNC2CC2)cc1.
What is the InChIKey of N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is QYXUIPBHKIXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-16-6-2-13(3-7-16)9-11-19-15(8-10-18-19)12-17-14-4-5-14/h2-3,6-8,10,14,17H,4-5,9,11-12H2,1H3.
What are the key properties of N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65441861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).