N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide

C15H25N5O — CID 91960532

IUPACN,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCCN(CC)C(=O)CCn1ncc2c1c(C)nn2C(C)C
InChIInChI=1S/C15H25N5O/c1-6-18(7-2)14(21)8-9-19-15-12(5)17-20(11(3)4)13(15)10-16-19/h10-11H,6-9H2,1-5H3
InChIKeyUGFZBRWYPCSUAL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.38
Rot. Bonds6

About N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide

N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (PubChem CID 91960532) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
PubChem CID91960532
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCCN(CC)C(=O)CCn1ncc2c1c(C)nn2C(C)C
InChIInChI=1S/C15H25N5O/c1-6-18(7-2)14(21)8-9-19-15-12(5)17-20(11(3)4)13(15)10-16-19/h10-11H,6-9H2,1-5H3
InChIKeyUGFZBRWYPCSUAL-UHFFFAOYSA-N
XLogP2.38
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The IUPAC name of N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (CID 91960532) is N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The canonical SMILES for N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is CCN(CC)C(=O)CCn1ncc2c1c(C)nn2C(C)C.
What is the InChIKey of N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The InChIKey is UGFZBRWYPCSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-6-18(7-2)14(21)8-9-19-15-12(5)17-20(11(3)4)13(15)10-16-19/h10-11H,6-9H2,1-5H3.
What are the key properties of N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is sourced from PubChem (CID 91960532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).