N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C16H18N4 — CID 166956715

IUPACN,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cnn2ccc(N(C)[C@H](C)c3ccccc3)nc12
InChIInChI=1S/C16H18N4/c1-12-11-17-20-10-9-15(18-16(12)20)19(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyYQOLRGWULIDWNE-CYBMUJFWSA-N
MW266.35 g/mol
LogP3.24
Rot. Bonds3

About N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine

N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 166956715) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID166956715
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cnn2ccc(N(C)[C@H](C)c3ccccc3)nc12
InChIInChI=1S/C16H18N4/c1-12-11-17-20-10-9-15(18-16(12)20)19(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyYQOLRGWULIDWNE-CYBMUJFWSA-N
XLogP3.24
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
benzene;ethane;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 161288697
N-methyl-N-[(1S)-1-phenylethyl]pyridin-3-amine
CID 124632027
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 123303911
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 133416328
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 70611813
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
ethyl 3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58628329
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 166956715) is N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cnn2ccc(N(C)[C@H](C)c3ccccc3)nc12.
What is the InChIKey of N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is YQOLRGWULIDWNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-11-17-20-10-9-15(18-16(12)20)19(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3/t13-/m1/s1.
What are the key properties of N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 266.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 166956715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).