N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H27N5O — CID 4024125

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCN(C)C)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C21H27N5O/c1-5-9-18-17(21(27)22-12-13-25(3)4)14-23-20-19(15(2)24-26(18)20)16-10-7-6-8-11-16/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,22,27)
InChIKeyRDBSQNQPOHBGHL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4024125) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4024125
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCN(C)C)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C21H27N5O/c1-5-9-18-17(21(27)22-12-13-25(3)4)14-23-20-19(15(2)24-26(18)20)16-10-7-6-8-11-16/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,22,27)
InChIKeyRDBSQNQPOHBGHL-UHFFFAOYSA-N
XLogP2.95
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811868
N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3901149
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659793
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049
7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
N-[(2R)-5-(diethylamino)pentan-2-yl]-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7238720
N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3422822
N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4562038
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4317033
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3447380

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4024125) is N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCc1c(C(=O)NCCN(C)C)cnc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RDBSQNQPOHBGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-5-9-18-17(21(27)22-12-13-25(3)4)14-23-20-19(15(2)24-26(18)20)16-10-7-6-8-11-16/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,22,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4024125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).