5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H18ClF2N5 — CID 151586559

IUPAC5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H](NC)c1cc2nc(Cl)cc(N(C)CC(F)F)n2n1
InChIInChI=1S/C13H18ClF2N5/c1-4-8(17-2)9-5-12-18-10(14)6-13(21(12)19-9)20(3)7-11(15)16/h5-6,8,11,17H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyQHPRHBONDCKGKO-QMMMGPOBSA-N
MW317.77 g/mol
LogP2.75
Rot. Bonds6

About 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 151586559) has the molecular formula C13H18ClF2N5 and a molecular weight of 317.77 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID151586559
Molecular FormulaC13H18ClF2N5
Molecular Weight317.77 g/mol
Exact Mass317.12
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H](NC)c1cc2nc(Cl)cc(N(C)CC(F)F)n2n1
InChIInChI=1S/C13H18ClF2N5/c1-4-8(17-2)9-5-12-18-10(14)6-13(21(12)19-9)20(3)7-11(15)16/h5-6,8,11,17H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyQHPRHBONDCKGKO-QMMMGPOBSA-N
XLogP2.75
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 151586559) is 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC[C@H](NC)c1cc2nc(Cl)cc(N(C)CC(F)F)n2n1.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QHPRHBONDCKGKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18ClF2N5/c1-4-8(17-2)9-5-12-18-10(14)6-13(21(12)19-9)20(3)7-11(15)16/h5-6,8,11,17H,4,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 317.77 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2-[(1S)-1-(methylamino)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 151586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).