N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C23H22N4O — CID 93008842

IUPACN-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C23H22N4O/c1-3-16(2)24-23(28)21-14-19(17-10-6-4-7-11-17)25-22-15-20(26-27(21)22)18-12-8-5-9-13-18/h4-16H,3H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyKHEBXULQTPBWOV-INIZCTEOSA-N
MW370.46 g/mol
LogP4.59
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 93008842) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID93008842
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C23H22N4O/c1-3-16(2)24-23(28)21-14-19(17-10-6-4-7-11-17)25-22-15-20(26-27(21)22)18-12-8-5-9-13-18/h4-16H,3H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyKHEBXULQTPBWOV-INIZCTEOSA-N
XLogP4.59
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 93008842) is N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is KHEBXULQTPBWOV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-16(2)24-23(28)21-14-19(17-10-6-4-7-11-17)25-22-15-20(26-27(21)22)18-12-8-5-9-13-18/h4-16H,3H2,1-2H3,(H,24,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 93008842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).