N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide

C21H25FN4O2 — CID 20633141

IUPACN-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nn2c(OC)cc(C)nc2c1CC)C(=O)c1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c1-5-10-25(21(27)15-8-7-9-16(22)12-15)13-18-17(6-2)20-23-14(3)11-19(28-4)26(20)24-18/h7-9,11-12H,5-6,10,13H2,1-4H3
InChIKeyQLRGZQKWVVNYPN-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.80
Rot. Bonds7

About N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide

N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide (PubChem CID 20633141) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide
PubChem CID20633141
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nn2c(OC)cc(C)nc2c1CC)C(=O)c1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c1-5-10-25(21(27)15-8-7-9-16(22)12-15)13-18-17(6-2)20-23-14(3)11-19(28-4)26(20)24-18/h7-9,11-12H,5-6,10,13H2,1-4H3
InChIKeyQLRGZQKWVVNYPN-UHFFFAOYSA-N
XLogP3.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide?
The IUPAC name of N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide (CID 20633141) is N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide.
What is the SMILES notation for N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide?
The canonical SMILES for N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide is CCCN(Cc1nn2c(OC)cc(C)nc2c1CC)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide?
The InChIKey is QLRGZQKWVVNYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-5-10-25(21(27)15-8-7-9-16(22)12-15)13-18-17(6-2)20-23-14(3)11-19(28-4)26(20)24-18/h7-9,11-12H,5-6,10,13H2,1-4H3.
What are the key properties of N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide?
N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluoro-N-propylbenzamide is sourced from PubChem (CID 20633141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).