N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine

C14H13N3O — CID 90934469

IUPACN-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine
SMILESCc1ccc(-c2ccco2)cc1Nc1ccn[nH]1
InChIInChI=1S/C14H13N3O/c1-10-4-5-11(13-3-2-8-18-13)9-12(10)16-14-6-7-15-17-14/h2-9H,1H3,(H2,15,16,17)
InChIKeyLNCVGHUUEAJTTJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.72
Rot. Bonds3

About N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine

N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine (PubChem CID 90934469) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine
PubChem CID90934469
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine
SMILESCc1ccc(-c2ccco2)cc1Nc1ccn[nH]1
InChIInChI=1S/C14H13N3O/c1-10-4-5-11(13-3-2-8-18-13)9-12(10)16-14-6-7-15-17-14/h2-9H,1H3,(H2,15,16,17)
InChIKeyLNCVGHUUEAJTTJ-UHFFFAOYSA-N
XLogP3.72
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine (CID 90934469) is N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine is Cc1ccc(-c2ccco2)cc1Nc1ccn[nH]1.
What is the InChIKey of N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine?
The InChIKey is LNCVGHUUEAJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-4-5-11(13-3-2-8-18-13)9-12(10)16-14-6-7-15-17-14/h2-9H,1H3,(H2,15,16,17).
What are the key properties of N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine?
N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 90934469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).