N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C15H18F3N7O — CID 70755475

IUPACN,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNc3nccc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C15H18F3N7O/c1-23(2)14(26)24-5-6-25-11(9-24)7-10(22-25)8-20-13-19-4-3-12(21-13)15(16,17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20,21)
InChIKeyCVGJNLOAVLEMRS-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.80
Rot. Bonds3

About N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70755475) has the molecular formula C15H18F3N7O and a molecular weight of 369.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70755475
Molecular FormulaC15H18F3N7O
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC NameN,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNc3nccc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C15H18F3N7O/c1-23(2)14(26)24-5-6-25-11(9-24)7-10(22-25)8-20-13-19-4-3-12(21-13)15(16,17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20,21)
InChIKeyCVGJNLOAVLEMRS-UHFFFAOYSA-N
XLogP1.80
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide with MolForge

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Related Compounds

N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084988
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53625143
N-methyl-5-{[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl}-2-pyrimidinamine dihydrochloride
CID 56916230
N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71892815
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72044267
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72895949
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72921885
N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
CID 97404947
N-[(6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
CID 97516909

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70755475) is N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CN(C)C(=O)N1CCn2nc(CNc3nccc(C(F)(F)F)n3)cc2C1.
What is the InChIKey of N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CVGJNLOAVLEMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7O/c1-23(2)14(26)24-5-6-25-11(9-24)7-10(22-25)8-20-13-19-4-3-12(21-13)15(16,17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70755475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).