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

C21H16ClN5O3 — CID 58056315

IUPACN-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2)c(Cl)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H16ClN5O3/c1-30-18-10-14(20(28)25-13-6-3-2-4-7-13)16(22)11-17(18)26-21(29)15-12-24-27-9-5-8-23-19(15)27/h2-12H,1H3,(H,25,28)(H,26,29)
InChIKeyRQXLXPLKIMYQLW-UHFFFAOYSA-N
MW421.84 g/mol
LogP3.90
Rot. Bonds5

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

N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056315) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056315
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC NameN-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2)c(Cl)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H16ClN5O3/c1-30-18-10-14(20(28)25-13-6-3-2-4-7-13)16(22)11-17(18)26-21(29)15-12-24-27-9-5-8-23-19(15)27/h2-12H,1H3,(H,25,28)(H,26,29)
InChIKeyRQXLXPLKIMYQLW-UHFFFAOYSA-N
XLogP3.90
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056315) is N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)Nc2ccccc2)c(Cl)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RQXLXPLKIMYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c1-30-18-10-14(20(28)25-13-6-3-2-4-7-13)16(22)11-17(18)26-21(29)15-12-24-27-9-5-8-23-19(15)27/h2-12H,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.84 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methoxy-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).