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

C18H15ClN6O2 — CID 70497097

IUPACN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CCO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C18H15ClN6O2/c19-13-4-1-3-12(9-13)16-15(11-24(23-16)7-8-26)22-18(27)14-10-21-25-6-2-5-20-17(14)25/h1-6,9-11,26H,7-8H2,(H,22,27)
InChIKeyLEWGMNBDVCHINA-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.49
Rot. Bonds5

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

N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497097) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497097
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC NameN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CCO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C18H15ClN6O2/c19-13-4-1-3-12(9-13)16-15(11-24(23-16)7-8-26)22-18(27)14-10-21-25-6-2-5-20-17(14)25/h1-6,9-11,26H,7-8H2,(H,22,27)
InChIKeyLEWGMNBDVCHINA-UHFFFAOYSA-N
XLogP2.49
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497097) is N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CCO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LEWGMNBDVCHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c19-13-4-1-3-12(9-13)16-15(11-24(23-16)7-8-26)22-18(27)14-10-21-25-6-2-5-20-17(14)25/h1-6,9-11,26H,7-8H2,(H,22,27).
What are the key properties of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).