2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H22N4O4 — CID 24641471

IUPAC2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C19H22N4O4/c1-11-6-18-20-10-14(12(2)23(18)22-11)19(24)21-9-13-7-16(26-4)17(27-5)8-15(13)25-3/h6-8,10H,9H2,1-5H3,(H,21,24)
InChIKeyKCJXNSQZPNUQIA-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.30
Rot. Bonds6

About 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24641471) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24641471
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C19H22N4O4/c1-11-6-18-20-10-14(12(2)23(18)22-11)19(24)21-9-13-7-16(26-4)17(27-5)8-15(13)25-3/h6-8,10H,9H2,1-5H3,(H,21,24)
InChIKeyKCJXNSQZPNUQIA-UHFFFAOYSA-N
XLogP2.30
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,7-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641486
2,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 61003398
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 38797108
N-[2-(2,4-dimethylphenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641487
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102
2,7-dimethyl-N-[(2-piperazin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 167935038
N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877997

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24641471) is 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1cnc2cc(C)nn2c1C.
What is the InChIKey of 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KCJXNSQZPNUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-6-18-20-10-14(12(2)23(18)22-11)19(24)21-9-13-7-16(26-4)17(27-5)8-15(13)25-3/h6-8,10H,9H2,1-5H3,(H,21,24).
What are the key properties of 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24641471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).