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

C23H24N6O — CID 90275527

IUPACN-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCCCC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H24N6O/c1-16-8-10-18(11-9-16)29-21(14-20(27-29)17-6-3-2-4-7-17)26-23(30)19-15-25-28-13-5-12-24-22(19)28/h5,8-15,17H,2-4,6-7H2,1H3,(H,26,30)
InChIKeyUIQIUKPOFFHGIT-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.52
Rot. Bonds4

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

N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90275527) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90275527
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCCCC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H24N6O/c1-16-8-10-18(11-9-16)29-21(14-20(27-29)17-6-3-2-4-7-17)26-23(30)19-15-25-28-13-5-12-24-22(19)28/h5,8-15,17H,2-4,6-7H2,1H3,(H,26,30)
InChIKeyUIQIUKPOFFHGIT-UHFFFAOYSA-N
XLogP4.52
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90275527) is N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCCCC3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UIQIUKPOFFHGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-8-10-18(11-9-16)29-21(14-20(27-29)17-6-3-2-4-7-17)26-23(30)19-15-25-28-13-5-12-24-22(19)28/h5,8-15,17H,2-4,6-7H2,1H3,(H,26,30).
What are the key properties of N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90275527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).