N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

C15H22F3N3 — CID 66441946

IUPACN-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1c(CNC2CC2)cnn1C1CCCCCC1
InChIInChI=1S/C15H22F3N3/c16-15(17,18)14-11(9-19-12-7-8-12)10-20-21(14)13-5-3-1-2-4-6-13/h10,12-13,19H,1-9H2
InChIKeyIIOGCMKBCNHCCR-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.05
Rot. Bonds4

About N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66441946) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66441946
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1c(CNC2CC2)cnn1C1CCCCCC1
InChIInChI=1S/C15H22F3N3/c16-15(17,18)14-11(9-19-12-7-8-12)10-20-21(14)13-5-3-1-2-4-6-13/h10,12-13,19H,1-9H2
InChIKeyIIOGCMKBCNHCCR-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 66441946) is N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is FC(F)(F)c1c(CNC2CC2)cnn1C1CCCCCC1.
What is the InChIKey of N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IIOGCMKBCNHCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c16-15(17,18)14-11(9-19-12-7-8-12)10-20-21(14)13-5-3-1-2-4-6-13/h10,12-13,19H,1-9H2.
What are the key properties of N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 301.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66441946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).