N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine

C18H23F2N3 — CID 45205069

IUPACN-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(C(C)NCC2CCCC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C18H23F2N3/c1-12(21-10-14-5-3-4-6-14)16-11-22-23(13(16)2)18-8-7-15(19)9-17(18)20/h7-9,11-12,14,21H,3-6,10H2,1-2H3
InChIKeyFVMNRWZFJPYGCD-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.30
Rot. Bonds5

About N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine

N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 45205069) has the molecular formula C18H23F2N3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID45205069
Molecular FormulaC18H23F2N3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(C(C)NCC2CCCC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C18H23F2N3/c1-12(21-10-14-5-3-4-6-14)16-11-22-23(13(16)2)18-8-7-15(19)9-17(18)20/h7-9,11-12,14,21H,3-6,10H2,1-2H3
InChIKeyFVMNRWZFJPYGCD-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine (CID 45205069) is N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine is Cc1c(C(C)NCC2CCCC2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is FVMNRWZFJPYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3/c1-12(21-10-14-5-3-4-6-14)16-11-22-23(13(16)2)18-8-7-15(19)9-17(18)20/h7-9,11-12,14,21H,3-6,10H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 319.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 45205069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).