7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H17N5 — CID 143687755

IUPAC7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C(C)N(CC)c1cccc(-c2ccnc3c(C#N)cnn23)c1
InChIInChI=1S/C18H17N5/c1-4-22(13(2)3)16-7-5-6-14(10-16)17-8-9-20-18-15(11-19)12-21-23(17)18/h5-10,12H,2,4H2,1,3H3
InChIKeyDXIRZAMQYRZSSH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.63
Rot. Bonds4

About 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 143687755) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID143687755
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C(C)N(CC)c1cccc(-c2ccnc3c(C#N)cnn23)c1
InChIInChI=1S/C18H17N5/c1-4-22(13(2)3)16-7-5-6-14(10-16)17-8-9-20-18-15(11-19)12-21-23(17)18/h5-10,12H,2,4H2,1,3H3
InChIKeyDXIRZAMQYRZSSH-UHFFFAOYSA-N
XLogP3.63
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811
7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 46196965
N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 71526053
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
CID 13476003
N-(3-acetylphenyl)acetamide;5-amino-1H-pyrazole-4-carbonitrile;N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide
CID 160951937
(2R)-2-amino-3-hydroxypropanoic acid;N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;methyl 2-phenyl-2-piperidin-2-ylacetate
CID 68832154
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane
CID 159810489
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4774562
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
CID 11618929
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
CID 11618626
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide
CID 123544305

Frequently Asked Questions

What is the IUPAC name of 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 143687755) is 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is C=C(C)N(CC)c1cccc(-c2ccnc3c(C#N)cnn23)c1.
What is the InChIKey of 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DXIRZAMQYRZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-4-22(13(2)3)16-7-5-6-14(10-16)17-8-9-20-18-15(11-19)12-21-23(17)18/h5-10,12H,2,4H2,1,3H3.
What are the key properties of 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 143687755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).