N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20ClN7O — CID 66554749

IUPACN-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1)c1cnn2cccnc12
InChIInChI=1S/C21H20ClN7O/c22-15-2-4-16(5-3-15)29-19(12-18(27-29)14-6-9-23-10-7-14)26-21(30)17-13-25-28-11-1-8-24-20(17)28/h1-5,8,11-14,23H,6-7,9-10H2,(H,26,30)
InChIKeyXPIQXXWMWNRBFR-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554749) has the molecular formula C21H20ClN7O and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554749
Molecular FormulaC21H20ClN7O
Molecular Weight421.89 g/mol
Exact Mass421.14
IUPAC NameN-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1)c1cnn2cccnc12
InChIInChI=1S/C21H20ClN7O/c22-15-2-4-16(5-3-15)29-19(12-18(27-29)14-6-9-23-10-7-14)26-21(30)17-13-25-28-11-1-8-24-20(17)28/h1-5,8,11-14,23H,6-7,9-10H2,(H,26,30)
InChIKeyXPIQXXWMWNRBFR-UHFFFAOYSA-N
XLogP3.29
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554749) is N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1)c1cnn2cccnc12.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XPIQXXWMWNRBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O/c22-15-2-4-16(5-3-15)29-19(12-18(27-29)14-6-9-23-10-7-14)26-21(30)17-13-25-28-11-1-8-24-20(17)28/h1-5,8,11-14,23H,6-7,9-10H2,(H,26,30).
What are the key properties of N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).