1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine

C16H17N3O2 — CID 126456916

IUPAC1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccccc1-c1[nH]ncc1CNCc1ccco1
InChIInChI=1S/C16H17N3O2/c1-20-15-7-3-2-6-14(15)16-12(10-18-19-16)9-17-11-13-5-4-8-21-13/h2-8,10,17H,9,11H2,1H3,(H,18,19)
InChIKeyNTEBOEOTDBTAFY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds6

About 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 126456916) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID126456916
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccccc1-c1[nH]ncc1CNCc1ccco1
InChIInChI=1S/C16H17N3O2/c1-20-15-7-3-2-6-14(15)16-12(10-18-19-16)9-17-11-13-5-4-8-21-13/h2-8,10,17H,9,11H2,1H3,(H,18,19)
InChIKeyNTEBOEOTDBTAFY-UHFFFAOYSA-N
XLogP2.97
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 126456922
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484773
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 62524526
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286903
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 126456916) is 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine is COc1ccccc1-c1[nH]ncc1CNCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is NTEBOEOTDBTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-15-7-3-2-6-14(15)16-12(10-18-19-16)9-17-11-13-5-4-8-21-13/h2-8,10,17H,9,11H2,1H3,(H,18,19).
What are the key properties of 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 126456916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).