N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H20N4O — CID 811834

IUPACN-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC[C@H](C)NC(=O)c1cnc2cc(-c3ccccc3)nn2c1C
InChIInChI=1S/C18H20N4O/c1-4-12(2)20-18(23)15-11-19-17-10-16(21-22(17)13(15)3)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeySRIYKDZUIQXHCN-LBPRGKRZSA-N
MW308.38 g/mol
LogP3.23
Rot. Bonds4

About N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 811834) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID811834
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC[C@H](C)NC(=O)c1cnc2cc(-c3ccccc3)nn2c1C
InChIInChI=1S/C18H20N4O/c1-4-12(2)20-18(23)15-11-19-17-10-16(21-22(17)13(15)3)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeySRIYKDZUIQXHCN-LBPRGKRZSA-N
XLogP3.23
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
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
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide
CID 100802493
2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371064
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 811834) is N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CC[C@H](C)NC(=O)c1cnc2cc(-c3ccccc3)nn2c1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SRIYKDZUIQXHCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-12(2)20-18(23)15-11-19-17-10-16(21-22(17)13(15)3)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.23, 4 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]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 811834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).