N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine

C14H18F3N5 — CID 146142097

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2nccn2CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C14H18F3N5/c1-20-7-11(6-19-20)8-22(12-2-3-12)9-13-18-4-5-21(13)10-14(15,16)17/h4-7,12H,2-3,8-10H2,1H3
InChIKeyLUEFSMBWMMGIKL-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.34
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 146142097) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine
PubChem CID146142097
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2nccn2CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C14H18F3N5/c1-20-7-11(6-19-20)8-22(12-2-3-12)9-13-18-4-5-21(13)10-14(15,16)17/h4-7,12H,2-3,8-10H2,1H3
InChIKeyLUEFSMBWMMGIKL-UHFFFAOYSA-N
XLogP2.34
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine (CID 146142097) is N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine is Cn1cc(CN(Cc2nccn2CC(F)(F)F)C2CC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is LUEFSMBWMMGIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-20-7-11(6-19-20)8-22(12-2-3-12)9-13-18-4-5-21(13)10-14(15,16)17/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 313.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 146142097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).