N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16ClN5O — CID 58056141

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)c1cnn2cccnc12
InChIInChI=1S/C17H16ClN5O/c18-12-4-5-15(22-7-1-2-8-22)14(10-12)21-17(24)13-11-20-23-9-3-6-19-16(13)23/h3-6,9-11H,1-2,7-8H2,(H,21,24)
InChIKeyBDKBIQZKHNSDTH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.24
Rot. Bonds3

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056141) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056141
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)c1cnn2cccnc12
InChIInChI=1S/C17H16ClN5O/c18-12-4-5-15(22-7-1-2-8-22)14(10-12)21-17(24)13-11-20-23-9-3-6-19-16(13)23/h3-6,9-11H,1-2,7-8H2,(H,21,24)
InChIKeyBDKBIQZKHNSDTH-UHFFFAOYSA-N
XLogP3.24
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58056194
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CID 58056104
N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157080179
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[4-(phenylcarbamoyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 141316907
N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338503
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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CID 66664795
N-[2-(azepan-1-yl)-5-ethyl-4-(hydroxymethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane
CID 145338731
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056141) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cnn2cccnc12.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BDKBIQZKHNSDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-12-4-5-15(22-7-1-2-8-22)14(10-12)21-17(24)13-11-20-23-9-3-6-19-16(13)23/h3-6,9-11H,1-2,7-8H2,(H,21,24).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).