3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine

C15H13F2N5 — CID 167816200

IUPAC3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine
SMILESFc1cncc(F)c1NCCc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H13F2N5/c16-12-8-19-9-13(17)15(12)20-6-3-11-7-14(22-21-11)10-1-4-18-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,19,20)(H,21,22)
InChIKeyUYNRVVZXGVQNAW-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.80
Rot. Bonds5

About 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine

3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine (PubChem CID 167816200) has the molecular formula C15H13F2N5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine
PubChem CID167816200
Molecular FormulaC15H13F2N5
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine
SMILESFc1cncc(F)c1NCCc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H13F2N5/c16-12-8-19-9-13(17)15(12)20-6-3-11-7-14(22-21-11)10-1-4-18-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,19,20)(H,21,22)
InChIKeyUYNRVVZXGVQNAW-UHFFFAOYSA-N
XLogP2.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine (CID 167816200) is 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine is Fc1cncc(F)c1NCCc1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine?
The InChIKey is UYNRVVZXGVQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5/c16-12-8-19-9-13(17)15(12)20-6-3-11-7-14(22-21-11)10-1-4-18-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,19,20)(H,21,22).
What are the key properties of 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine?
3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine has a molecular weight of 301.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 167816200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).