N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine

C13H13F3N4 — CID 81255203

IUPACN-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cnn(-c2ccncc2CNC2CC2)c1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)10-7-19-20(8-10)12-3-4-17-5-9(12)6-18-11-1-2-11/h3-5,7-8,11,18H,1-2,6H2
InChIKeyYMGVMFQGHUUOEI-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.54
Rot. Bonds4

About N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine

N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81255203) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81255203
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cnn(-c2ccncc2CNC2CC2)c1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)10-7-19-20(8-10)12-3-4-17-5-9(12)6-18-11-1-2-11/h3-5,7-8,11,18H,1-2,6H2
InChIKeyYMGVMFQGHUUOEI-UHFFFAOYSA-N
XLogP2.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine (CID 81255203) is N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine is FC(F)(F)c1cnn(-c2ccncc2CNC2CC2)c1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is YMGVMFQGHUUOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)10-7-19-20(8-10)12-3-4-17-5-9(12)6-18-11-1-2-11/h3-5,7-8,11,18H,1-2,6H2.
What are the key properties of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 282.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81255203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).