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

C23H24N6O2 — CID 66554925

IUPACN-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCC(O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H24N6O2/c1-15-3-7-17(8-4-15)29-21(13-20(27-29)16-5-9-18(30)10-6-16)26-23(31)19-14-25-28-12-2-11-24-22(19)28/h2-4,7-8,11-14,16,18,30H,5-6,9-10H2,1H3,(H,26,31)
InChIKeyCILJGPVVDVEOSC-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.49
Rot. Bonds4

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

N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554925) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554925
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCC(O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H24N6O2/c1-15-3-7-17(8-4-15)29-21(13-20(27-29)16-5-9-18(30)10-6-16)26-23(31)19-14-25-28-12-2-11-24-22(19)28/h2-4,7-8,11-14,16,18,30H,5-6,9-10H2,1H3,(H,26,31)
InChIKeyCILJGPVVDVEOSC-UHFFFAOYSA-N
XLogP3.49
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554925) is N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCC(O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CILJGPVVDVEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-3-7-17(8-4-15)29-21(13-20(27-29)16-5-9-18(30)10-6-16)26-23(31)19-14-25-28-12-2-11-24-22(19)28/h2-4,7-8,11-14,16,18,30H,5-6,9-10H2,1H3,(H,26,31).
What are the key properties of N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxycyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).