N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide

C14H26N4O2 — CID 115600781

IUPACN-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1c(C)nn(C)c1OC
InChIInChI=1S/C14H26N4O2/c1-6-10(2)16-13(19)7-8-15-9-12-11(3)17-18(4)14(12)20-5/h10,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyGHMQVCXMYGNDKH-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.13
Rot. Bonds8

About N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide

N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide (PubChem CID 115600781) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
PubChem CID115600781
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1c(C)nn(C)c1OC
InChIInChI=1S/C14H26N4O2/c1-6-10(2)16-13(19)7-8-15-9-12-11(3)17-18(4)14(12)20-5/h10,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyGHMQVCXMYGNDKH-UHFFFAOYSA-N
XLogP1.13
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 52537950
N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 61022788
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604266
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502
N-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549294
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115600667

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide (CID 115600781) is N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1c(C)nn(C)c1OC.
What is the InChIKey of N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is GHMQVCXMYGNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-10(2)16-13(19)7-8-15-9-12-11(3)17-18(4)14(12)20-5/h10,15H,6-9H2,1-5H3,(H,16,19).
What are the key properties of N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide?
N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 282.39 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 115600781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).