N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine

C17H22FN3 — CID 79224024

IUPACN-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
SMILESCc1cc(F)ccc1-n1nc(C)c(CCNC2CC2)c1C
InChIInChI=1S/C17H22FN3/c1-11-10-14(18)4-7-17(11)21-13(3)16(12(2)20-21)8-9-19-15-5-6-15/h4,7,10,15,19H,5-6,8-9H2,1-3H3
InChIKeyPVHWREZKCFNSKF-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.23
Rot. Bonds5

About N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine

N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine (PubChem CID 79224024) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
PubChem CID79224024
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
SMILESCc1cc(F)ccc1-n1nc(C)c(CCNC2CC2)c1C
InChIInChI=1S/C17H22FN3/c1-11-10-14(18)4-7-17(11)21-13(3)16(12(2)20-21)8-9-19-15-5-6-15/h4,7,10,15,19H,5-6,8-9H2,1-3H3
InChIKeyPVHWREZKCFNSKF-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine (CID 79224024) is N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine is Cc1cc(F)ccc1-n1nc(C)c(CCNC2CC2)c1C.
What is the InChIKey of N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is PVHWREZKCFNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11-10-14(18)4-7-17(11)21-13(3)16(12(2)20-21)8-9-19-15-5-6-15/h4,7,10,15,19H,5-6,8-9H2,1-3H3.
What are the key properties of N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine?
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 287.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 79224024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).