N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide

C24H24N4O2 — CID 11567532

IUPACN-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2ccnc3c(-c4ccc(CO)cc4)cnn23)c1
InChIInChI=1S/C24H24N4O2/c1-16(2)12-23(30)27-20-5-3-4-19(13-20)22-10-11-25-24-21(14-26-28(22)24)18-8-6-17(15-29)7-9-18/h3-11,13-14,16,29H,12,15H2,1-2H3,(H,27,30)
InChIKeyCKYBYYSWEMBPDO-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.54
Rot. Bonds6

About N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide

N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide (PubChem CID 11567532) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
PubChem CID11567532
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2ccnc3c(-c4ccc(CO)cc4)cnn23)c1
InChIInChI=1S/C24H24N4O2/c1-16(2)12-23(30)27-20-5-3-4-19(13-20)22-10-11-25-24-21(14-26-28(22)24)18-8-6-17(15-29)7-9-18/h3-11,13-14,16,29H,12,15H2,1-2H3,(H,27,30)
InChIKeyCKYBYYSWEMBPDO-UHFFFAOYSA-N
XLogP4.54
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-[3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11525142
3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11281152
N-[3-[3-[4-[(2-methoxyacetyl)amino]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131136
4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
CID 169372224
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-2-bromopropanamide
CID 57281182
4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 69131298
2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 11554544
N-[3-[3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46880227
N-[3-[3-(2-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58970140
N-[3-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131119
N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 69131446
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide (CID 11567532) is N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(-c2ccnc3c(-c4ccc(CO)cc4)cnn23)c1.
What is the InChIKey of N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
The InChIKey is CKYBYYSWEMBPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(2)12-23(30)27-20-5-3-4-19(13-20)22-10-11-25-24-21(14-26-28(22)24)18-8-6-17(15-29)7-9-18/h3-11,13-14,16,29H,12,15H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide has a molecular weight of 400.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 11567532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).