N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

C14H15F2N3 — CID 82930291

IUPACN-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(Cn2cc(CNC3CC3)cn2)cc1F
InChIInChI=1S/C14H15F2N3/c15-13-4-1-10(5-14(13)16)8-19-9-11(7-18-19)6-17-12-2-3-12/h1,4-5,7,9,12,17H,2-3,6,8H2
InChIKeyABUQAQCLJBQFPR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.46
Rot. Bonds5

About N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82930291) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82930291
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(Cn2cc(CNC3CC3)cn2)cc1F
InChIInChI=1S/C14H15F2N3/c15-13-4-1-10(5-14(13)16)8-19-9-11(7-18-19)6-17-12-2-3-12/h1,4-5,7,9,12,17H,2-3,6,8H2
InChIKeyABUQAQCLJBQFPR-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 82923811
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 82920458
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 100632539
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
CID 166274914
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 65326635
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 82930291) is N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is Fc1ccc(Cn2cc(CNC3CC3)cn2)cc1F.
What is the InChIKey of N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ABUQAQCLJBQFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-13-4-1-10(5-14(13)16)8-19-9-11(7-18-19)6-17-12-2-3-12/h1,4-5,7,9,12,17H,2-3,6,8H2.
What are the key properties of N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 263.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82930291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).