N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine

C15H18FN3 — CID 43282151

IUPACN-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(C)n(-c2ccc(CNC3CC3)cc2F)n1
InChIInChI=1S/C15H18FN3/c1-10-7-11(2)19(18-10)15-6-3-12(8-14(15)16)9-17-13-4-5-13/h3,6-8,13,17H,4-5,9H2,1-2H3
InChIKeyJXYHPTNSPSCSJH-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.88
Rot. Bonds4

About N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine

N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 43282151) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID43282151
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(C)n(-c2ccc(CNC3CC3)cc2F)n1
InChIInChI=1S/C15H18FN3/c1-10-7-11(2)19(18-10)15-6-3-12(8-14(15)16)9-17-13-4-5-13/h3,6-8,13,17H,4-5,9H2,1-2H3
InChIKeyJXYHPTNSPSCSJH-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076994
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
N-[[4-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254175
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine
CID 62123849
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937019
N-[[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451270
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62123677
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine
CID 102926096

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine (CID 43282151) is N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine is Cc1cc(C)n(-c2ccc(CNC3CC3)cc2F)n1.
What is the InChIKey of N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is JXYHPTNSPSCSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-7-11(2)19(18-10)15-6-3-12(8-14(15)16)9-17-13-4-5-13/h3,6-8,13,17H,4-5,9H2,1-2H3.
What are the key properties of N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine?
N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 259.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43282151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).