N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H27N5O — CID 43072626

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2cnc3cc(C)nn3c2C)N(C)C)cc1
InChIInChI=1S/C21H27N5O/c1-6-16-7-9-17(10-8-16)19(25(4)5)13-23-21(27)18-12-22-20-11-14(2)24-26(20)15(18)3/h7-12,19H,6,13H2,1-5H3,(H,23,27)
InChIKeyLFMZSCHWAHUWEN-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 43072626) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID43072626
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2cnc3cc(C)nn3c2C)N(C)C)cc1
InChIInChI=1S/C21H27N5O/c1-6-16-7-9-17(10-8-16)19(25(4)5)13-23-21(27)18-12-22-20-11-14(2)24-26(20)15(18)3/h7-12,19H,6,13H2,1-5H3,(H,23,27)
InChIKeyLFMZSCHWAHUWEN-UHFFFAOYSA-N
XLogP2.94
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
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
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 43047884
2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
CID 55370135
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
2,7-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641486
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 43072626) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1ccc(C(CNC(=O)c2cnc3cc(C)nn3c2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LFMZSCHWAHUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-6-16-7-9-17(10-8-16)19(25(4)5)13-23-21(27)18-12-22-20-11-14(2)24-26(20)15(18)3/h7-12,19H,6,13H2,1-5H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43072626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).