N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide

C29H32N4O2 — CID 15958090

IUPACN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C29H32N4O2/c1-20(2)29(34)32-26-18-31-33-27(23-11-7-4-8-12-23)25(17-30-28(26)33)22-13-15-24(16-14-22)35-19-21-9-5-3-6-10-21/h3,5-6,9-10,13-18,20,23H,4,7-8,11-12,19H2,1-2H3,(H,32,34)
InChIKeySYRRXZVEULYGKE-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.62
Rot. Bonds7

About N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide

N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide (PubChem CID 15958090) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide
PubChem CID15958090
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C29H32N4O2/c1-20(2)29(34)32-26-18-31-33-27(23-11-7-4-8-12-23)25(17-30-28(26)33)22-13-15-24(16-14-22)35-19-21-9-5-3-6-10-21/h3,5-6,9-10,13-18,20,23H,4,7-8,11-12,19H2,1-2H3,(H,32,34)
InChIKeySYRRXZVEULYGKE-UHFFFAOYSA-N
XLogP6.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide (CID 15958090) is N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide?
The InChIKey is SYRRXZVEULYGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20(2)29(34)32-26-18-31-33-27(23-11-7-4-8-12-23)25(17-30-28(26)33)22-13-15-24(16-14-22)35-19-21-9-5-3-6-10-21/h3,5-6,9-10,13-18,20,23H,4,7-8,11-12,19H2,1-2H3,(H,32,34).
What are the key properties of N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide?
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide has a molecular weight of 468.60 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 15958090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).