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

C20H19ClN6O3 — CID 70497535

IUPACN-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN6O3/c1-30-12-15(28)10-26-11-17(18(25-26)13-4-2-5-14(21)8-13)24-20(29)16-9-23-27-7-3-6-22-19(16)27/h2-9,11,15,28H,10,12H2,1H3,(H,24,29)
InChIKeyHBFIQYJFDZYJOK-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.51
Rot. Bonds7

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

N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497535) has the molecular formula C20H19ClN6O3 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497535
Molecular FormulaC20H19ClN6O3
Molecular Weight426.86 g/mol
Exact Mass426.12
IUPAC NameN-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN6O3/c1-30-12-15(28)10-26-11-17(18(25-26)13-4-2-5-14(21)8-13)24-20(29)16-9-23-27-7-3-6-22-19(16)27/h2-9,11,15,28H,10,12H2,1H3,(H,24,29)
InChIKeyHBFIQYJFDZYJOK-UHFFFAOYSA-N
XLogP2.51
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497535) is N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HBFIQYJFDZYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O3/c1-30-12-15(28)10-26-11-17(18(25-26)13-4-2-5-14(21)8-13)24-20(29)16-9-23-27-7-3-6-22-19(16)27/h2-9,11,15,28H,10,12H2,1H3,(H,24,29).
What are the key properties of N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).