N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H22N4O — CID 42752722

IUPACN-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NC(C)CC)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H22N4O/c1-4-13(3)21-19(24)15-12-20-18-11-16(14-9-7-6-8-10-14)22-23(18)17(15)5-2/h6-13H,4-5H2,1-3H3,(H,21,24)
InChIKeyNYDUEMZPDQZYHQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds5

About N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 42752722) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID42752722
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NC(C)CC)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H22N4O/c1-4-13(3)21-19(24)15-12-20-18-11-16(14-9-7-6-8-10-14)22-23(18)17(15)5-2/h6-13H,4-5H2,1-3H3,(H,21,24)
InChIKeyNYDUEMZPDQZYHQ-UHFFFAOYSA-N
XLogP3.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4317033
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
N-[(2R)-5-(diethylamino)pentan-2-yl]-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7238720
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659791
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 42752729

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 42752722) is N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NC(C)CC)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NYDUEMZPDQZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-13(3)21-19(24)15-12-20-18-11-16(14-9-7-6-8-10-14)22-23(18)17(15)5-2/h6-13H,4-5H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).