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

C21H21N7O2 — CID 66555268

IUPACN-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3COCCN3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C21H21N7O2/c1-14-3-5-15(6-4-14)28-19(11-17(26-28)18-13-30-10-8-22-18)25-21(29)16-12-24-27-9-2-7-23-20(16)27/h2-7,9,11-12,18,22H,8,10,13H2,1H3,(H,25,29)
InChIKeyDDOSWAHACIQEBR-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.14
Rot. Bonds4

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

N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555268) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555268
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3COCCN3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C21H21N7O2/c1-14-3-5-15(6-4-14)28-19(11-17(26-28)18-13-30-10-8-22-18)25-21(29)16-12-24-27-9-2-7-23-20(16)27/h2-7,9,11-12,18,22H,8,10,13H2,1H3,(H,25,29)
InChIKeyDDOSWAHACIQEBR-UHFFFAOYSA-N
XLogP2.14
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555268) is N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3COCCN3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DDOSWAHACIQEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14-3-5-15(6-4-14)28-19(11-17(26-28)18-13-30-10-8-22-18)25-21(29)16-12-24-27-9-2-7-23-20(16)27/h2-7,9,11-12,18,22H,8,10,13H2,1H3,(H,25,29).
What are the key properties of N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-morpholin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).