1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

C15H15N3O — CID 43485984

IUPAC1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)c1ccco1
InChIInChI=1S/C15H15N3O/c1-16-15(14-8-5-9-19-14)12-10-17-18(11-12)13-6-3-2-4-7-13/h2-11,15-16H,1H3
InChIKeyITQGCHSVZFTYBH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.77
Rot. Bonds4

About 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43485984) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43485984
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)c1ccco1
InChIInChI=1S/C15H15N3O/c1-16-15(14-8-5-9-19-14)12-10-17-18(11-12)13-6-3-2-4-7-13/h2-11,15-16H,1H3
InChIKeyITQGCHSVZFTYBH-UHFFFAOYSA-N
XLogP2.77
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485986
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 107960678
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (CID 43485984) is 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1cnn(-c2ccccc2)c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is ITQGCHSVZFTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-16-15(14-8-5-9-19-14)12-10-17-18(11-12)13-6-3-2-4-7-13/h2-11,15-16H,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43485984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).