2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide

C11H20N4O — CID 103571495

IUPAC2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
SMILESCCCn1cc(CNC(C)(C)C(N)=O)cn1
InChIInChI=1S/C11H20N4O/c1-4-5-15-8-9(7-14-15)6-13-11(2,3)10(12)16/h7-8,13H,4-6H2,1-3H3,(H2,12,16)
InChIKeyQYQHYBRAFVEJHZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds6

About 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide

2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide (PubChem CID 103571495) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
PubChem CID103571495
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
SMILESCCCn1cc(CNC(C)(C)C(N)=O)cn1
InChIInChI=1S/C11H20N4O/c1-4-5-15-8-9(7-14-15)6-13-11(2,3)10(12)16/h7-8,13H,4-6H2,1-3H3,(H2,12,16)
InChIKeyQYQHYBRAFVEJHZ-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75483596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide (CID 103571495) is 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide is CCCn1cc(CNC(C)(C)C(N)=O)cn1.
What is the InChIKey of 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is QYQHYBRAFVEJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-15-8-9(7-14-15)6-13-11(2,3)10(12)16/h7-8,13H,4-6H2,1-3H3,(H2,12,16).
What are the key properties of 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide?
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 103571495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).