N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C14H17ClN4 — CID 136877602

IUPACN-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESClc1cccc(CNC[C@@H]2CNc3ccnn3C2)c1
InChIInChI=1S/C14H17ClN4/c15-13-3-1-2-11(6-13)7-16-8-12-9-17-14-4-5-18-19(14)10-12/h1-6,12,16-17H,7-10H2/t12-/m1/s1
InChIKeyGSCBPPAIJMYKPJ-GFCCVEGCSA-N
MW276.77 g/mol
LogP2.37
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 136877602) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID136877602
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESClc1cccc(CNC[C@@H]2CNc3ccnn3C2)c1
InChIInChI=1S/C14H17ClN4/c15-13-3-1-2-11(6-13)7-16-8-12-9-17-14-4-5-18-19(14)10-12/h1-6,12,16-17H,7-10H2/t12-/m1/s1
InChIKeyGSCBPPAIJMYKPJ-GFCCVEGCSA-N
XLogP2.37
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-chlorophenyl)methyl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905608
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136718027
1-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136905429
2-(1-methylpyrazol-4-yl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905121
2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905595
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905195
N-[[3-(methoxymethyl)phenyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905132
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
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
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905287
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
(2R,3R,4S)-2-[[(3-chlorophenyl)methylamino]methyl]pyrrolidine-3,4-diol
CID 11097212

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 136877602) is N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Clc1cccc(CNC[C@@H]2CNc3ccnn3C2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is GSCBPPAIJMYKPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-13-3-1-2-11(6-13)7-16-8-12-9-17-14-4-5-18-19(14)10-12/h1-6,12,16-17H,7-10H2/t12-/m1/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 136877602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).