3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C21H17ClN4O2 — CID 58628918

IUPAC3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1CCO)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C21H17ClN4O2/c22-16-6-3-5-15(12-16)17-13-23-26-10-8-19(24-20(17)26)21(28)25-18-7-2-1-4-14(18)9-11-27/h1-8,10,12-13,27H,9,11H2,(H,25,28)
InChIKeyIEIXFDFZNABMKM-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.84
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628918) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628918
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1CCO)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C21H17ClN4O2/c22-16-6-3-5-15(12-16)17-13-23-26-10-8-19(24-20(17)26)21(28)25-18-7-2-1-4-14(18)9-11-27/h1-8,10,12-13,27H,9,11H2,(H,25,28)
InChIKeyIEIXFDFZNABMKM-UHFFFAOYSA-N
XLogP3.84
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628665
3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628888
3-(3-chlorophenyl)-N-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628701
N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628533
3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
CID 162329103
3-(3-chlorophenyl)-N-[3-[4-(2-phenylethyl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628721
dimethyl (2S)-2-[[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]piperidin-4-yl]amino]butanedioate
CID 58628363
tert-butyl N-[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 76842889
3-(3-chlorophenyl)-N-[5-(methanesulfonamido)-2-piperazin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628437
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-[(1S)-1-phenylethyl]urea
CID 58628491
N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 70921256

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628918) is 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1CCO)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is IEIXFDFZNABMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-16-6-3-5-15(12-16)17-13-23-26-10-8-19(24-20(17)26)21(28)25-18-7-2-1-4-14(18)9-11-27/h1-8,10,12-13,27H,9,11H2,(H,25,28).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).