N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22ClN7O2 — CID 70495652

IUPACN-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CCN2CCOCC2)nc1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C22H22ClN7O2/c23-17-4-1-3-16(13-17)20-19(15-29(27-20)8-7-28-9-11-32-12-10-28)26-22(31)18-14-25-30-6-2-5-24-21(18)30/h1-6,13-15H,7-12H2,(H,26,31)
InChIKeyQCQOXIPCXCSSLX-UHFFFAOYSA-N
MW451.92 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70495652) has the molecular formula C22H22ClN7O2 and a molecular weight of 451.92 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70495652
Molecular FormulaC22H22ClN7O2
Molecular Weight451.92 g/mol
Exact Mass451.15
IUPAC NameN-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CCN2CCOCC2)nc1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C22H22ClN7O2/c23-17-4-1-3-16(13-17)20-19(15-29(27-20)8-7-28-9-11-32-12-10-28)26-22(31)18-14-25-30-6-2-5-24-21(18)30/h1-6,13-15H,7-12H2,(H,26,31)
InChIKeyQCQOXIPCXCSSLX-UHFFFAOYSA-N
XLogP2.83
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.92
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70495652) is N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CCN2CCOCC2)nc1-c1cccc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QCQOXIPCXCSSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O2/c23-17-4-1-3-16(13-17)20-19(15-29(27-20)8-7-28-9-11-32-12-10-28)26-22(31)18-14-25-30-6-2-5-24-21(18)30/h1-6,13-15H,7-12H2,(H,26,31).
What are the key properties of N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.92 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70495652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).