N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide

C19H27N5O — CID 136905628

IUPACN-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC[C@H]2CNc3ccnn3C2)cc1
InChIInChI=1S/C19H27N5O/c1-14(2)23(3)19(25)17-6-4-15(5-7-17)10-20-11-16-12-21-18-8-9-22-24(18)13-16/h4-9,14,16,20-21H,10-13H2,1-3H3/t16-/m0/s1
InChIKeyOEYHZLDRBINWDI-INIZCTEOSA-N
MW341.46 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide

N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide (PubChem CID 136905628) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
PubChem CID136905628
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC[C@H]2CNc3ccnn3C2)cc1
InChIInChI=1S/C19H27N5O/c1-14(2)23(3)19(25)17-6-4-15(5-7-17)10-20-11-16-12-21-18-8-9-22-24(18)13-16/h4-9,14,16,20-21H,10-13H2,1-3H3/t16-/m0/s1
InChIKeyOEYHZLDRBINWDI-INIZCTEOSA-N
XLogP2.19
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
The IUPAC name of N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide (CID 136905628) is N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide is CC(C)N(C)C(=O)c1ccc(CNC[C@H]2CNc3ccnn3C2)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
The InChIKey is OEYHZLDRBINWDI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)23(3)19(25)17-6-4-15(5-7-17)10-20-11-16-12-21-18-8-9-22-24(18)13-16/h4-9,14,16,20-21H,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 136905628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).