7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20F2N4O3 — CID 4197086

IUPAC7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC
InChIInChI=1S/C19H20F2N4O3/c1-11-8-14(17(20)21)25-18(24-11)13(10-23-25)19(26)22-7-6-12-4-5-15(27-2)16(9-12)28-3/h4-5,8-10,17H,6-7H2,1-3H3,(H,22,26)
InChIKeyMLZRZNMTUKCZHN-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.97
Rot. Bonds7

About 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4197086) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4197086
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC
InChIInChI=1S/C19H20F2N4O3/c1-11-8-14(17(20)21)25-18(24-11)13(10-23-25)19(26)22-7-6-12-4-5-15(27-2)16(9-12)28-3/h4-5,8-10,17H,6-7H2,1-3H3,(H,22,26)
InChIKeyMLZRZNMTUKCZHN-UHFFFAOYSA-N
XLogP2.97
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4197086) is 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CCNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC.
What is the InChIKey of 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MLZRZNMTUKCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11-8-14(17(20)21)25-18(24-11)13(10-23-25)19(26)22-7-6-12-4-5-15(27-2)16(9-12)28-3/h4-5,8-10,17H,6-7H2,1-3H3,(H,22,26).
What are the key properties of 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4197086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).