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

C23H24N8O2 — CID 66555095

IUPACN-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C(N)=O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H24N8O2/c1-15-3-5-17(6-4-15)31-20(13-19(28-31)16-7-11-29(12-8-16)23(24)33)27-22(32)18-14-26-30-10-2-9-25-21(18)30/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,24,33)(H,27,32)
InChIKeyWWMWJTFIQUMVHC-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.73
Rot. Bonds4

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

N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555095) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555095
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C(N)=O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H24N8O2/c1-15-3-5-17(6-4-15)31-20(13-19(28-31)16-7-11-29(12-8-16)23(24)33)27-22(32)18-14-26-30-10-2-9-25-21(18)30/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,24,33)(H,27,32)
InChIKeyWWMWJTFIQUMVHC-UHFFFAOYSA-N
XLogP2.73
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555095) is N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(C(N)=O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WWMWJTFIQUMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-15-3-5-17(6-4-15)31-20(13-19(28-31)16-7-11-29(12-8-16)23(24)33)27-22(32)18-14-26-30-10-2-9-25-21(18)30/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,24,33)(H,27,32).
What are the key properties of N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).