N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine

C14H24FN3 — CID 82697469

IUPACN-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CCCF)c(CC)c1CNC1CC1
InChIInChI=1S/C14H24FN3/c1-3-13-12(10-16-11-6-7-11)14(4-2)18(17-13)9-5-8-15/h11,16H,3-10H2,1-2H3
InChIKeyOHCFERNRPKLQKM-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.62
Rot. Bonds8

About N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82697469) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82697469
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC NameN-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CCCF)c(CC)c1CNC1CC1
InChIInChI=1S/C14H24FN3/c1-3-13-12(10-16-11-6-7-11)14(4-2)18(17-13)9-5-8-15/h11,16H,3-10H2,1-2H3
InChIKeyOHCFERNRPKLQKM-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 82697469) is N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine is CCc1nn(CCCF)c(CC)c1CNC1CC1.
What is the InChIKey of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OHCFERNRPKLQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-3-13-12(10-16-11-6-7-11)14(4-2)18(17-13)9-5-8-15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 253.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82697469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).