N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18ClN5O3 — CID 110252407

IUPACN-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4cccc(Cl)c4)c3n2)CC1=O
InChIInChI=1S/C19H18ClN5O3/c1-2-24-10-11(6-16(24)26)15-8-17(27)25-18(23-15)14(9-21-25)19(28)22-13-5-3-4-12(20)7-13/h3-5,7-9,11,21H,2,6,10H2,1H3,(H,22,28)
InChIKeyNDEWUNSQTPTZDN-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.26
Rot. Bonds4

About N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110252407) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110252407
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC NameN-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4cccc(Cl)c4)c3n2)CC1=O
InChIInChI=1S/C19H18ClN5O3/c1-2-24-10-11(6-16(24)26)15-8-17(27)25-18(23-15)14(9-21-25)19(28)22-13-5-3-4-12(20)7-13/h3-5,7-9,11,21H,2,6,10H2,1H3,(H,22,28)
InChIKeyNDEWUNSQTPTZDN-UHFFFAOYSA-N
XLogP2.26
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973392
5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973398
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95813800
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129454703
N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089476
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
2-(3-chlorophenyl)-3-methyl-5-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98132982
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
5-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152785745
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110252407) is N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4cccc(Cl)c4)c3n2)CC1=O.
What is the InChIKey of N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NDEWUNSQTPTZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-2-24-10-11(6-16(24)26)15-8-17(27)25-18(23-15)14(9-21-25)19(28)22-13-5-3-4-12(20)7-13/h3-5,7-9,11,21H,2,6,10H2,1H3,(H,22,28).
What are the key properties of N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.84 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110252407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).