N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

C21H22FN5O — CID 70783527

IUPACN-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCc1cc(CN(C)Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)n[nH]1
InChIInChI=1S/C21H22FN5O/c1-14-9-18(24-23-14)13-26(3)11-16-12-27(19-6-4-5-17(22)10-19)25-21(16)20-8-7-15(2)28-20/h4-10,12H,11,13H2,1-3H3,(H,23,24)
InChIKeyFJOSBPBFGJWYNU-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.24
Rot. Bonds6

About N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (PubChem CID 70783527) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
PubChem CID70783527
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCc1cc(CN(C)Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)n[nH]1
InChIInChI=1S/C21H22FN5O/c1-14-9-18(24-23-14)13-26(3)11-16-12-27(19-6-4-5-17(22)10-19)25-21(16)20-8-7-15(2)28-20/h4-10,12H,11,13H2,1-3H3,(H,23,24)
InChIKeyFJOSBPBFGJWYNU-UHFFFAOYSA-N
XLogP4.24
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The IUPAC name of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (CID 70783527) is N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is Cc1cc(CN(C)Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)n[nH]1.
What is the InChIKey of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The InChIKey is FJOSBPBFGJWYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-14-9-18(24-23-14)13-26(3)11-16-12-27(19-6-4-5-17(22)10-19)25-21(16)20-8-7-15(2)28-20/h4-10,12H,11,13H2,1-3H3,(H,23,24).
What are the key properties of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine has a molecular weight of 379.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 70783527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).