N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine

C14H15F2N3 — CID 105409582

IUPACN-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(Cn2ccc(CNC3CC3)n2)c1
InChIInChI=1S/C14H15F2N3/c15-11-5-10(6-12(16)7-11)9-19-4-3-14(18-19)8-17-13-1-2-13/h3-7,13,17H,1-2,8-9H2
InChIKeyAAAFVNXFCNAKIL-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.46
Rot. Bonds5

About N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 105409582) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID105409582
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(Cn2ccc(CNC3CC3)n2)c1
InChIInChI=1S/C14H15F2N3/c15-11-5-10(6-12(16)7-11)9-19-4-3-14(18-19)8-17-13-1-2-13/h3-7,13,17H,1-2,8-9H2
InChIKeyAAAFVNXFCNAKIL-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-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65315951
N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79186563
N-[[1-(2-ethylbutyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 82925368
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 83168369
N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79709192
N-[[1-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178499
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61496393
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205709
N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65165245

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 105409582) is N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is Fc1cc(F)cc(Cn2ccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is AAAFVNXFCNAKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-11-5-10(6-12(16)7-11)9-19-4-3-14(18-19)8-17-13-1-2-13/h3-7,13,17H,1-2,8-9H2.
What are the key properties of N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-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-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 105409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).