N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20N6O2 — CID 154962012

IUPACN-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCc1ccc(OCC)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C21H20N6O2/c1-3-6-14-7-8-18(29-4-2)15(11-14)19-17(13-23-26-19)25-21(28)16-12-24-27-10-5-9-22-20(16)27/h3,5,7-13H,1,4,6H2,2H3,(H,23,26)(H,25,28)
InChIKeyWSMKNCCTBWLUGW-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.50
Rot. Bonds7

About N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154962012) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154962012
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCc1ccc(OCC)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C21H20N6O2/c1-3-6-14-7-8-18(29-4-2)15(11-14)19-17(13-23-26-19)25-21(28)16-12-24-27-10-5-9-22-20(16)27/h3,5,7-13H,1,4,6H2,2H3,(H,23,26)(H,25,28)
InChIKeyWSMKNCCTBWLUGW-UHFFFAOYSA-N
XLogP3.50
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 70496681
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CID 129164797
N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[5-chloro-2-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162644073
N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164729949
N-[5-[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylsulfonyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158298229
N-[5-[2-(difluoromethoxy)-5-[4-(dimethylcarbamoyl)phenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135379230
N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164730024
N-[5-[2-(difluoromethoxy)-5-[3-[2-(2-hydroxyethylamino)ethyl]phenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138690567
N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123366517
N-[5-[2-(difluoromethoxy)-5-piperidin-4-ylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378798

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154962012) is N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CCc1ccc(OCC)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WSMKNCCTBWLUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-3-6-14-7-8-18(29-4-2)15(11-14)19-17(13-23-26-19)25-21(28)16-12-24-27-10-5-9-22-20(16)27/h3,5,7-13H,1,4,6H2,2H3,(H,23,26)(H,25,28).
What are the key properties of N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxy-5-prop-2-enylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154962012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).