5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine

C15H15N3O2 — CID 57411902

IUPAC5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C15H15N3O2/c1-19-12-6-4-11(5-7-12)10-16-15-9-13(17-18-15)14-3-2-8-20-14/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyRCJLYOBFXTWNGK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.29
Rot. Bonds5

About 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine

5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine (PubChem CID 57411902) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine
PubChem CID57411902
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C15H15N3O2/c1-19-12-6-4-11(5-7-12)10-16-15-9-13(17-18-15)14-3-2-8-20-14/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyRCJLYOBFXTWNGK-UHFFFAOYSA-N
XLogP3.29
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-furylmethyl)-N'-(3-phenyl-1H-pyrazol-5-yl)thiourea
CID 934801
Pyrazolopyridazine 13
CID 6538894
Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
4-[5-Amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162677191
1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2822416
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
Pyrazolopyridazine 14
CID 6538895
1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CID 1090776
2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline
CID 2330618
(Z)-N-[(Furan-2-YL)methyl]-N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-YL](methylsulfanyl)methanimidamide
CID 6485159
3-(Furan-2-yl)-1-phenyl-1h-pyrazol-5-amine
CID 12288137
3-(Furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 63173008

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine (CID 57411902) is 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine is COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is RCJLYOBFXTWNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-12-6-4-11(5-7-12)10-16-15-9-13(17-18-15)14-3-2-8-20-14/h2-9H,10H2,1H3,(H2,16,17,18).
What are the key properties of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 269.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 57411902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).