3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline

C15H13Cl2N3O — CID 43760366

IUPAC3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
SMILESCc1ccc(-c2[nH]ncc2CNc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H13Cl2N3O/c1-9-2-3-14(21-9)15-10(8-19-20-15)7-18-13-5-11(16)4-12(17)6-13/h2-6,8,18H,7H2,1H3,(H,19,20)
InChIKeyZFQAJLKRDKTWMN-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.90
Rot. Bonds4

About 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline

3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline (PubChem CID 43760366) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
PubChem CID43760366
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
SMILESCc1ccc(-c2[nH]ncc2CNc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H13Cl2N3O/c1-9-2-3-14(21-9)15-10(8-19-20-15)7-18-13-5-11(16)4-12(17)6-13/h2-6,8,18H,7H2,1H3,(H,19,20)
InChIKeyZFQAJLKRDKTWMN-UHFFFAOYSA-N
XLogP4.90
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 63333019
2-chloro-4-fluoro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 43774028
3-chloro-2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 43758634
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline (CID 43760366) is 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline is Cc1ccc(-c2[nH]ncc2CNc2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline?
The InChIKey is ZFQAJLKRDKTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-9-2-3-14(21-9)15-10(8-19-20-15)7-18-13-5-11(16)4-12(17)6-13/h2-6,8,18H,7H2,1H3,(H,19,20).
What are the key properties of 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline?
3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline has a molecular weight of 322.20 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline is sourced from PubChem (CID 43760366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).