N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide

C11H20N4O — CID 120831813

IUPACN-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C11H20N4O/c1-8(2)15-6-5-10(14-15)11(16)13-7-9(3)12-4/h5-6,8-9,12H,7H2,1-4H3,(H,13,16)
InChIKeyGIMONMVHIMMKMD-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 120831813) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID120831813
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C11H20N4O/c1-8(2)15-6-5-10(14-15)11(16)13-7-9(3)12-4/h5-6,8-9,12H,7H2,1-4H3,(H,13,16)
InChIKeyGIMONMVHIMMKMD-UHFFFAOYSA-N
XLogP0.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 120831813) is N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide is CNC(C)CNC(=O)c1ccn(C(C)C)n1.
What is the InChIKey of N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is GIMONMVHIMMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15-6-5-10(14-15)11(16)13-7-9(3)12-4/h5-6,8-9,12H,7H2,1-4H3,(H,13,16).
What are the key properties of N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 120831813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).