N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine

C15H20FN3 — CID 66007664

IUPACN-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCc1nn(C)cc1-c1ccc(CNC(C)C)c(F)c1
InChIInChI=1S/C15H20FN3/c1-10(2)17-8-13-6-5-12(7-15(13)16)14-9-19(4)18-11(14)3/h5-7,9-10,17H,8H2,1-4H3
InChIKeyMXEMOSJQXDQUAO-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.03
Rot. Bonds4

About N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine

N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine (PubChem CID 66007664) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
PubChem CID66007664
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCc1nn(C)cc1-c1ccc(CNC(C)C)c(F)c1
InChIInChI=1S/C15H20FN3/c1-10(2)17-8-13-6-5-12(7-15(13)16)14-9-19(4)18-11(14)3/h5-7,9-10,17H,8H2,1-4H3
InChIKeyMXEMOSJQXDQUAO-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine (CID 66007664) is N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine is Cc1nn(C)cc1-c1ccc(CNC(C)C)c(F)c1.
What is the InChIKey of N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
The InChIKey is MXEMOSJQXDQUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)17-8-13-6-5-12(7-15(13)16)14-9-19(4)18-11(14)3/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 66007664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).