N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H17N5O3 — CID 66664582

IUPACN-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H17N5O3/c1-29-18-12-14(20(27)24-15-6-3-2-4-7-15)8-9-17(18)25-21(28)16-13-23-26-11-5-10-22-19(16)26/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyWISAEJRORLLXSO-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.24
Rot. Bonds5

About N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66664582) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66664582
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H17N5O3/c1-29-18-12-14(20(27)24-15-6-3-2-4-7-15)8-9-17(18)25-21(28)16-13-23-26-11-5-10-22-19(16)26/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyWISAEJRORLLXSO-UHFFFAOYSA-N
XLogP3.24
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66664582) is N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WISAEJRORLLXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-29-18-12-14(20(27)24-15-6-3-2-4-7-15)8-9-17(18)25-21(28)16-13-23-26-11-5-10-22-19(16)26/h2-13H,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66664582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).