N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine

C17H16FN5 — CID 170327631

IUPACN-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
SMILESFc1ccc(Nc2nn3c(c2-c2ccncc2)CNCC3)cc1
InChIInChI=1S/C17H16FN5/c18-13-1-3-14(4-2-13)21-17-16(12-5-7-19-8-6-12)15-11-20-9-10-23(15)22-17/h1-8,20H,9-11H2,(H,21,22)
InChIKeyQEMJAJRTGLZMAC-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.93
Rot. Bonds3

About N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine

N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine (PubChem CID 170327631) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
PubChem CID170327631
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC NameN-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
SMILESFc1ccc(Nc2nn3c(c2-c2ccncc2)CNCC3)cc1
InChIInChI=1S/C17H16FN5/c18-13-1-3-14(4-2-13)21-17-16(12-5-7-19-8-6-12)15-11-20-9-10-23(15)22-17/h1-8,20H,9-11H2,(H,21,22)
InChIKeyQEMJAJRTGLZMAC-UHFFFAOYSA-N
XLogP2.93
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327928
2-(2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327738
2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170328201
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
CID 170328030
2-(4-ethylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327906
2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327857
3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327994
hydron;2-(2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170327922
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579
2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 174144909
1-[3-pyridin-4-yl-2-[4-(trifluoromethyl)anilino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170327347
2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 69315880

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine (CID 170327631) is N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine is Fc1ccc(Nc2nn3c(c2-c2ccncc2)CNCC3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine?
The InChIKey is QEMJAJRTGLZMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c18-13-1-3-14(4-2-13)21-17-16(12-5-7-19-8-6-12)15-11-20-9-10-23(15)22-17/h1-8,20H,9-11H2,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine?
N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine has a molecular weight of 309.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 170327631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).