N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C12H13F3N6 — CID 72890492

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2cc3n(n2)CCNC3)n1
InChIInChI=1S/C12H13F3N6/c13-12(14,15)10-1-2-17-11(19-10)18-6-8-5-9-7-16-3-4-21(9)20-8/h1-2,5,16H,3-4,6-7H2,(H,17,18,19)
InChIKeyOGNYTLUUIDZNDF-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.41
Rot. Bonds3

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 72890492) has the molecular formula C12H13F3N6 and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID72890492
Molecular FormulaC12H13F3N6
Molecular Weight298.27 g/mol
Exact Mass298.12
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2cc3n(n2)CCNC3)n1
InChIInChI=1S/C12H13F3N6/c13-12(14,15)10-1-2-17-11(19-10)18-6-8-5-9-7-16-3-4-21(9)20-8/h1-2,5,16H,3-4,6-7H2,(H,17,18,19)
InChIKeyOGNYTLUUIDZNDF-UHFFFAOYSA-N
XLogP1.41
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
2-N-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201337
4-N-cyclopropyl-2-N-[(4S)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201338
4-N-cyclopropyl-2-N-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201339
4-N-methyl-2-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203468
2-N-[(4S)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203469
2-N-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203470
2-N-[(4S)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203471
4-N-methyl-2-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 117875418
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
2-{[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56892731
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 72890492) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2cc3n(n2)CCNC3)n1.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OGNYTLUUIDZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6/c13-12(14,15)10-1-2-17-11(19-10)18-6-8-5-9-7-16-3-4-21(9)20-8/h1-2,5,16H,3-4,6-7H2,(H,17,18,19).
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 72890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).