N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16N4O3 — CID 58056354

IUPACN-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(/C=C/CO)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H16N4O3/c1-24-15-6-5-12(4-2-9-22)10-14(15)20-17(23)13-11-19-21-8-3-7-18-16(13)21/h2-8,10-11,22H,9H2,1H3,(H,20,23)/b4-2+
InChIKeyQJVRRSOIWRYIPN-DUXPYHPUSA-N
MW324.34 g/mol
LogP2.00
Rot. Bonds5

About N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056354) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056354
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(/C=C/CO)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H16N4O3/c1-24-15-6-5-12(4-2-9-22)10-14(15)20-17(23)13-11-19-21-8-3-7-18-16(13)21/h2-8,10-11,22H,9H2,1H3,(H,20,23)/b4-2+
InChIKeyQJVRRSOIWRYIPN-DUXPYHPUSA-N
XLogP2.00
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056354) is N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(/C=C/CO)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QJVRRSOIWRYIPN-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-15-6-5-12(4-2-9-22)10-14(15)20-17(23)13-11-19-21-8-3-7-18-16(13)21/h2-8,10-11,22H,9H2,1H3,(H,20,23)/b4-2+.
What are the key properties of N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).