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

C19H19ClN6O2 — CID 58056169

IUPACN-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C19H19ClN6O2/c20-13-2-3-16(25-8-4-12(5-9-25)17(21)27)15(10-13)24-19(28)14-11-23-26-7-1-6-22-18(14)26/h1-3,6-7,10-12H,4-5,8-9H2,(H2,21,27)(H,24,28)
InChIKeyZCEVGIAITKATNG-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.34
Rot. Bonds4

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

N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056169) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056169
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C19H19ClN6O2/c20-13-2-3-16(25-8-4-12(5-9-25)17(21)27)15(10-13)24-19(28)14-11-23-26-7-1-6-22-18(14)26/h1-3,6-7,10-12H,4-5,8-9H2,(H2,21,27)(H,24,28)
InChIKeyZCEVGIAITKATNG-UHFFFAOYSA-N
XLogP2.34
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056169) is N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZCEVGIAITKATNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c20-13-2-3-16(25-8-4-12(5-9-25)17(21)27)15(10-13)24-19(28)14-11-23-26-7-1-6-22-18(14)26/h1-3,6-7,10-12H,4-5,8-9H2,(H2,21,27)(H,24,28).
What are the key properties of N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).