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

C18H20N4O — CID 811831

IUPAC7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)C)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H20N4O/c1-12(2)10-20-18(23)15-11-19-17-9-16(21-22(17)13(15)3)14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,23)
InChIKeyUZWBEMMPFKFAEV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.09
Rot. Bonds4

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

7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 811831) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID811831
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)C)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H20N4O/c1-12(2)10-20-18(23)15-11-19-17-9-16(21-22(17)13(15)3)14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,23)
InChIKeyUZWBEMMPFKFAEV-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
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
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
N-[(2S)-2-(1-benzylpiperidin-4-yl)-2-hydroxyethyl]-7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162370359
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
2-[[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243014
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371064
N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4317033

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 811831) is 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(C)C)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UZWBEMMPFKFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)10-20-18(23)15-11-19-17-9-16(21-22(17)13(15)3)14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,23).
What are the key properties of 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 811831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).