5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H16F2N6O — CID 122542280

IUPAC5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N[C@@H]3CCC(F)(F)C[C@@H]3N)nc12
InChIInChI=1S/C13H16F2N6O/c14-13(15)3-1-9(8(16)5-13)19-10-2-4-21-12(20-10)7(6-18-21)11(17)22/h2,4,6,8-9H,1,3,5,16H2,(H2,17,22)(H,19,20)/t8-,9+/m0/s1
InChIKeySLTCFELRAYTZSG-DTWKUNHWSA-N
MW310.31 g/mol
LogP0.76
Rot. Bonds3

About 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122542280) has the molecular formula C13H16F2N6O and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122542280
Molecular FormulaC13H16F2N6O
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC Name5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N[C@@H]3CCC(F)(F)C[C@@H]3N)nc12
InChIInChI=1S/C13H16F2N6O/c14-13(15)3-1-9(8(16)5-13)19-10-2-4-21-12(20-10)7(6-18-21)11(17)22/h2,4,6,8-9H,1,3,5,16H2,(H2,17,22)(H,19,20)/t8-,9+/m0/s1
InChIKeySLTCFELRAYTZSG-DTWKUNHWSA-N
XLogP0.76
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413
N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122540794
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122515235
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542279
N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063058
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262594
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263069
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262641
5-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175761276
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542225

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122542280) is 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N[C@@H]3CCC(F)(F)C[C@@H]3N)nc12.
What is the InChIKey of 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SLTCFELRAYTZSG-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H16F2N6O/c14-13(15)3-1-9(8(16)5-13)19-10-2-4-21-12(20-10)7(6-18-21)11(17)22/h2,4,6,8-9H,1,3,5,16H2,(H2,17,22)(H,19,20)/t8-,9+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122542280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).