N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine

C15H20FN3 — CID 66097006

IUPACN-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCc1c(-c2ccc(CNC(C)C)c(F)c2)cnn1C
InChIInChI=1S/C15H20FN3/c1-10(2)17-8-13-6-5-12(7-15(13)16)14-9-18-19(4)11(14)3/h5-7,9-10,17H,8H2,1-4H3
InChIKeyBPODVVAVPYLNGL-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.03
Rot. Bonds4

About N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine

N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine (PubChem CID 66097006) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
PubChem CID66097006
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCc1c(-c2ccc(CNC(C)C)c(F)c2)cnn1C
InChIInChI=1S/C15H20FN3/c1-10(2)17-8-13-6-5-12(7-15(13)16)14-9-18-19(4)11(14)3/h5-7,9-10,17H,8H2,1-4H3
InChIKeyBPODVVAVPYLNGL-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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Related Compounds

N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66007664
N-[[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66156907
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 113469801
N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 66099317
N-[[4-(5-bromo-3-methyltriazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 106463333
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
CID 61077044
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115504145
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine (CID 66097006) is N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine is Cc1c(-c2ccc(CNC(C)C)c(F)c2)cnn1C.
What is the InChIKey of N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
The InChIKey is BPODVVAVPYLNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)17-8-13-6-5-12(7-15(13)16)14-9-18-19(4)11(14)3/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine?
N-[[4-(1,5-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-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 66097006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).