ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide

C23H25N5O — CID 143251437

IUPACethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
SMILESCC.CNC(=O)c1ccc(Nc2cc(-c3ccccc3)nc3cc(C)nn23)cc1
InChIInChI=1S/C21H19N5O.C2H6/c1-14-12-19-24-18(15-6-4-3-5-7-15)13-20(26(19)25-14)23-17-10-8-16(9-11-17)21(27)22-2;1-2/h3-13,23H,1-2H3,(H,22,27);1-2H3
InChIKeyPCOKSLZSKDAXHH-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.83
Rot. Bonds4

About ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide

ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide (PubChem CID 143251437) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide.

Molecular Properties

Compound Nameethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
PubChem CID143251437
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Nameethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
SMILESCC.CNC(=O)c1ccc(Nc2cc(-c3ccccc3)nc3cc(C)nn23)cc1
InChIInChI=1S/C21H19N5O.C2H6/c1-14-12-19-24-18(15-6-4-3-5-7-15)13-20(26(19)25-14)23-17-10-8-16(9-11-17)21(27)22-2;1-2/h3-13,23H,1-2H3,(H,22,27);1-2H3
InChIKeyPCOKSLZSKDAXHH-UHFFFAOYSA-N
XLogP4.83
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143251443
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
tert-butyl 4-[(2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 58662403
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557
N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70765387
1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398
4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67082901
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol
CID 70709400

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide?
The IUPAC name of ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide (CID 143251437) is ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide.
What is the SMILES notation for ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide?
The canonical SMILES for ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide is CC.CNC(=O)c1ccc(Nc2cc(-c3ccccc3)nc3cc(C)nn23)cc1.
What is the InChIKey of ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide?
The InChIKey is PCOKSLZSKDAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.C2H6/c1-14-12-19-24-18(15-6-4-3-5-7-15)13-20(26(19)25-14)23-17-10-8-16(9-11-17)21(27)22-2;1-2/h3-13,23H,1-2H3,(H,22,27);1-2H3.
What are the key properties of ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide?
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide has a molecular weight of 387.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide is sourced from PubChem (CID 143251437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).