5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H23N5 — CID 51584804

IUPAC5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc([C@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1
InChIInChI=1S/C19H23N5/c1-14-10-19-21-17(11-18(20)24(19)22-14)16-8-5-9-23(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-13,20H2,1H3/t16-/m0/s1
InChIKeyBWFYBIYGZLKPBK-INIZCTEOSA-N
MW321.43 g/mol
LogP3.00
Rot. Bonds3

About 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51584804) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID51584804
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc([C@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1
InChIInChI=1S/C19H23N5/c1-14-10-19-21-17(11-18(20)24(19)22-14)16-8-5-9-23(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-13,20H2,1H3/t16-/m0/s1
InChIKeyBWFYBIYGZLKPBK-INIZCTEOSA-N
XLogP3.00
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 110220484
5-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589345
5-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46960718
4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 46953318
5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589156
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92555636
2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 124827161
5-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220911
[4-[[(3R)-3-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 92550770
[4-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 95801736

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 51584804) is 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc([C@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1.
What is the InChIKey of 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BWFYBIYGZLKPBK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-10-19-21-17(11-18(20)24(19)22-14)16-8-5-9-23(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-13,20H2,1H3/t16-/m0/s1.
What are the key properties of 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 321.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51584804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).