N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H21N7 — CID 70707398

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cnnc1CCNc1cc(-c2ccccc2)nc2cc(C)nn12
InChIInChI=1S/C19H21N7/c1-3-25-13-21-23-17(25)9-10-20-18-12-16(15-7-5-4-6-8-15)22-19-11-14(2)24-26(18)19/h4-8,11-13,20H,3,9-10H2,1-2H3
InChIKeyZETJQZIYDCVVIT-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70707398) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70707398
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cnnc1CCNc1cc(-c2ccccc2)nc2cc(C)nn12
InChIInChI=1S/C19H21N7/c1-3-25-13-21-23-17(25)9-10-20-18-12-16(15-7-5-4-6-8-15)22-19-11-14(2)24-26(18)19/h4-8,11-13,20H,3,9-10H2,1-2H3
InChIKeyZETJQZIYDCVVIT-UHFFFAOYSA-N
XLogP2.97
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70710345
2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772578
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70786665
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50952376
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 133410346
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437
2-[[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 6487768
(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95871433
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118775753

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70707398) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCn1cnnc1CCNc1cc(-c2ccccc2)nc2cc(C)nn12.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZETJQZIYDCVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-25-13-21-23-17(25)9-10-20-18-12-16(15-7-5-4-6-8-15)22-19-11-14(2)24-26(18)19/h4-8,11-13,20H,3,9-10H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70707398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).