N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide

C18H25N5O — CID 136713498

IUPACN,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
SMILESCc1cc2n(n1)C[C@H](CNCc1cccc(C(=O)N(C)C)c1)CN2
InChIInChI=1S/C18H25N5O/c1-13-7-17-20-11-15(12-23(17)21-13)10-19-9-14-5-4-6-16(8-14)18(24)22(2)3/h4-8,15,19-20H,9-12H2,1-3H3/t15-/m1/s1
InChIKeyKSMPKJAAGFQTIF-OAHLLOKOSA-N
MW327.43 g/mol
LogP1.72
Rot. Bonds5

About N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide

N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide (PubChem CID 136713498) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
PubChem CID136713498
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
SMILESCc1cc2n(n1)C[C@H](CNCc1cccc(C(=O)N(C)C)c1)CN2
InChIInChI=1S/C18H25N5O/c1-13-7-17-20-11-15(12-23(17)21-13)10-19-9-14-5-4-6-16(8-14)18(24)22(2)3/h4-8,15,19-20H,9-12H2,1-3H3/t15-/m1/s1
InChIKeyKSMPKJAAGFQTIF-OAHLLOKOSA-N
XLogP1.72
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905132
1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]methanamine
CID 136713497
1-[3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 136716908
N-[(2-methoxy-4-pyridinyl)methyl]-1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905217
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136713538
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
(6R)-6-ethyl-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 176934646
N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136877602
3-[(2-imidazol-1-ylethylamino)methyl]-N,N-dimethylbenzamide
CID 139020115
(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718074
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
(2S)-1-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]-3-[(1R)-1-phenylethoxy]propan-2-ol
CID 136696918

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide (CID 136713498) is N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide is Cc1cc2n(n1)C[C@H](CNCc1cccc(C(=O)N(C)C)c1)CN2.
What is the InChIKey of N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
The InChIKey is KSMPKJAAGFQTIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-7-17-20-11-15(12-23(17)21-13)10-19-9-14-5-4-6-16(8-14)18(24)22(2)3/h4-8,15,19-20H,9-12H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide?
N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 136713498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).