5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine

C8H12FN5 — CID 150906437

IUPAC5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine
SMILESNc1cnn2c1NC(N)(CCF)C=C2
InChIInChI=1S/C8H12FN5/c9-3-1-8(11)2-4-14-7(13-8)6(10)5-12-14/h2,4-5,13H,1,3,10-11H2
InChIKeyZWTFZDNJIXFDDO-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.38
Rot. Bonds2

About 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine

5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine (PubChem CID 150906437) has the molecular formula C8H12FN5 and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine
PubChem CID150906437
Molecular FormulaC8H12FN5
Molecular Weight197.22 g/mol
Exact Mass197.11
IUPAC Name5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine
SMILESNc1cnn2c1NC(N)(CCF)C=C2
InChIInChI=1S/C8H12FN5/c9-3-1-8(11)2-4-14-7(13-8)6(10)5-12-14/h2,4-5,13H,1,3,10-11H2
InChIKeyZWTFZDNJIXFDDO-UHFFFAOYSA-N
XLogP0.38
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
(+/-)-1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-amine
CID 86680081
5-(3-Methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 141363094
5-fluoro-4-methyl-4-N-(2-propylpyrazol-3-yl)-1H-pyrimidine-2,4-diamine
CID 144378287
5-fluoro-4-methyl-2-N-(2-methylpyrazol-3-yl)-1H-pyrimidine-2,4-diamine
CID 144378304
4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151478517
5-(3-Fluoropiperidin-1-yl)-1-methylpyrazol-4-amine
CID 152639618
4-methyl-2-N-[1-methyl-5-(methylamino)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 153997766
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-3-amine hydrochloride
CID 136237216
1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103077867
1-methyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
CID 103078492
3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine
CID 103078760

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine?
The IUPAC name of 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine (CID 150906437) is 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine.
What is the SMILES notation for 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine?
The canonical SMILES for 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine is Nc1cnn2c1NC(N)(CCF)C=C2.
What is the InChIKey of 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine?
The InChIKey is ZWTFZDNJIXFDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN5/c9-3-1-8(11)2-4-14-7(13-8)6(10)5-12-14/h2,4-5,13H,1,3,10-11H2.
What are the key properties of 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine?
5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine has a molecular weight of 197.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine is sourced from PubChem (CID 150906437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).