N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C27H30N4O2 — CID 46433322

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCOc1ccc(C(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O2/c1-5-33-23-13-11-22(12-14-23)27(21-9-7-6-8-10-21)29-26(32)16-15-24-19(3)28-25-17-18(2)30-31(25)20(24)4/h6-14,17,27H,5,15-16H2,1-4H3,(H,29,32)
InChIKeyPDAPUKLYBYMQNU-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.89
Rot. Bonds8

About N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 46433322) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID46433322
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCOc1ccc(C(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O2/c1-5-33-23-13-11-22(12-14-23)27(21-9-7-6-8-10-21)29-26(32)16-15-24-19(3)28-25-17-18(2)30-31(25)20(24)4/h6-14,17,27H,5,15-16H2,1-4H3,(H,29,32)
InChIKeyPDAPUKLYBYMQNU-UHFFFAOYSA-N
XLogP4.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60510228
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 51184872
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34231119
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
CID 20863104
2-(4-methylphenoxy)ethyl 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8783057
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35505375
3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide
CID 34250924

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 46433322) is N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is CCOc1ccc(C(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is PDAPUKLYBYMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-5-33-23-13-11-22(12-14-23)27(21-9-7-6-8-10-21)29-26(32)16-15-24-19(3)28-25-17-18(2)30-31(25)20(24)4/h6-14,17,27H,5,15-16H2,1-4H3,(H,29,32).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 442.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 46433322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).