N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19ClFN7O — CID 90272212

IUPACN-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1F)c1cnn2cccnc12
InChIInChI=1S/C21H19ClFN7O/c22-14-2-3-18(16(23)10-14)30-19(11-17(28-30)13-4-7-24-8-5-13)27-21(31)15-12-26-29-9-1-6-25-20(15)29/h1-3,6,9-13,24H,4-5,7-8H2,(H,27,31)
InChIKeySGFCGUZPHDRIAH-UHFFFAOYSA-N
MW439.88 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90272212) has the molecular formula C21H19ClFN7O and a molecular weight of 439.88 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90272212
Molecular FormulaC21H19ClFN7O
Molecular Weight439.88 g/mol
Exact Mass439.13
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1F)c1cnn2cccnc12
InChIInChI=1S/C21H19ClFN7O/c22-14-2-3-18(16(23)10-14)30-19(11-17(28-30)13-4-7-24-8-5-13)27-21(31)15-12-26-29-9-1-6-25-20(15)29/h1-3,6,9-13,24H,4-5,7-8H2,(H,27,31)
InChIKeySGFCGUZPHDRIAH-UHFFFAOYSA-N
XLogP3.43
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90272212) is N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1F)c1cnn2cccnc12.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SGFCGUZPHDRIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN7O/c22-14-2-3-18(16(23)10-14)30-19(11-17(28-30)13-4-7-24-8-5-13)27-21(31)15-12-26-29-9-1-6-25-20(15)29/h1-3,6,9-13,24H,4-5,7-8H2,(H,27,31).
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90272212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).