5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine

C17H21F2N3 — CID 175240809

IUPAC5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine
SMILESFC1(F)C(C2CC2)=CC=CC1CCNc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H21F2N3/c18-17(19)13(2-1-3-14(17)11-4-5-11)8-9-20-16-10-15(21-22-16)12-6-7-12/h1-3,10-13H,4-9H2,(H2,20,21,22)
InChIKeyRNGPEGDXOOHYLK-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.25
Rot. Bonds6

About 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine

5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine (PubChem CID 175240809) has the molecular formula C17H21F2N3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine
PubChem CID175240809
Molecular FormulaC17H21F2N3
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC Name5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine
SMILESFC1(F)C(C2CC2)=CC=CC1CCNc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H21F2N3/c18-17(19)13(2-1-3-14(17)11-4-5-11)8-9-20-16-10-15(21-22-16)12-6-7-12/h1-3,10-13H,4-9H2,(H2,20,21,22)
InChIKeyRNGPEGDXOOHYLK-UHFFFAOYSA-N
XLogP4.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine (CID 175240809) is 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine is FC1(F)C(C2CC2)=CC=CC1CCNc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is RNGPEGDXOOHYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3/c18-17(19)13(2-1-3-14(17)11-4-5-11)8-9-20-16-10-15(21-22-16)12-6-7-12/h1-3,10-13H,4-9H2,(H2,20,21,22).
What are the key properties of 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine?
5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 305.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 175240809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).