N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H27N5 — CID 122193826

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C21H27N5/c1-4-25-12-8-11-18(25)14-22-19-13-15(2)23-21-20(16(3)24-26(19)21)17-9-6-5-7-10-17/h5-7,9-10,13,18,22H,4,8,11-12,14H2,1-3H3
InChIKeyAFUJIFUZGGJAOI-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.91
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193826) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193826
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C21H27N5/c1-4-25-12-8-11-18(25)14-22-19-13-15(2)23-21-20(16(3)24-26(19)21)17-9-6-5-7-10-17/h5-7,9-10,13,18,22H,4,8,11-12,14H2,1-3H3
InChIKeyAFUJIFUZGGJAOI-UHFFFAOYSA-N
XLogP3.91
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7174902
2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193193
6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine
CID 7435966
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 95099026
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
2-[(2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl-dimethylazanium
CID 7619003
6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3810376
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
CID 59867538
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]methanamine
CID 125114753
7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3790883

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 122193826) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCN1CCCC1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AFUJIFUZGGJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-4-25-12-8-11-18(25)14-22-19-13-15(2)23-21-20(16(3)24-26(19)21)17-9-6-5-7-10-17/h5-7,9-10,13,18,22H,4,8,11-12,14H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).