N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide

C13H24N4O — CID 91838775

IUPACN-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide
SMILESCCCn1ncc(CN(C)CCC(=O)NC)c1C
InChIInChI=1S/C13H24N4O/c1-5-7-17-11(2)12(9-15-17)10-16(4)8-6-13(18)14-3/h9H,5-8,10H2,1-4H3,(H,14,18)
InChIKeyVTWBQCUUBTYMLL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds7

About N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide

N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide (PubChem CID 91838775) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide
PubChem CID91838775
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide
SMILESCCCn1ncc(CN(C)CCC(=O)NC)c1C
InChIInChI=1S/C13H24N4O/c1-5-7-17-11(2)12(9-15-17)10-16(4)8-6-13(18)14-3/h9H,5-8,10H2,1-4H3,(H,14,18)
InChIKeyVTWBQCUUBTYMLL-UHFFFAOYSA-N
XLogP1.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide (CID 91838775) is N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide is CCCn1ncc(CN(C)CCC(=O)NC)c1C.
What is the InChIKey of N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide?
The InChIKey is VTWBQCUUBTYMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-17-11(2)12(9-15-17)10-16(4)8-6-13(18)14-3/h9H,5-8,10H2,1-4H3,(H,14,18).
What are the key properties of N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide?
N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[(5-methyl-1-propylpyrazol-4-yl)methyl]amino]propanamide is sourced from PubChem (CID 91838775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).