N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine

C17H23N3O — CID 116803262

IUPACN-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCCn1cc(OCc2ccccc2CCNC2CC2)cn1
InChIInChI=1S/C17H23N3O/c1-2-20-12-17(11-19-20)21-13-15-6-4-3-5-14(15)9-10-18-16-7-8-16/h3-6,11-12,16,18H,2,7-10,13H2,1H3
InChIKeyICVYAKODNKPXFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.78
Rot. Bonds8

About N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine

N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine (PubChem CID 116803262) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
PubChem CID116803262
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCCn1cc(OCc2ccccc2CCNC2CC2)cn1
InChIInChI=1S/C17H23N3O/c1-2-20-12-17(11-19-20)21-13-15-6-4-3-5-14(15)9-10-18-16-7-8-16/h3-6,11-12,16,18H,2,7-10,13H2,1H3
InChIKeyICVYAKODNKPXFL-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
N-[2-[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598452
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 116793677
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 116803383
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714
N-[[6-(1-ethylpyrazol-4-yl)oxy-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 116802203
N-[2-(4-propan-2-yloxypyrazol-1-yl)ethyl]cyclopentanamine
CID 114274297
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine (CID 116803262) is N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine is CCn1cc(OCc2ccccc2CCNC2CC2)cn1.
What is the InChIKey of N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is ICVYAKODNKPXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-12-17(11-19-20)21-13-15-6-4-3-5-14(15)9-10-18-16-7-8-16/h3-6,11-12,16,18H,2,7-10,13H2,1H3.
What are the key properties of N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 116803262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).