N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide

C12H22N4O — CID 80689002

IUPACN,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
SMILESCN(C)C(=O)CCCNCCc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-15(2)12(17)5-4-7-13-8-6-11-9-14-16(3)10-11/h9-10,13H,4-8H2,1-3H3
InChIKeyFOJNBPYCHUJFPU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.42
Rot. Bonds7

About N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide

N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide (PubChem CID 80689002) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
PubChem CID80689002
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
SMILESCN(C)C(=O)CCCNCCc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-15(2)12(17)5-4-7-13-8-6-11-9-14-16(3)10-11/h9-10,13H,4-8H2,1-3H3
InChIKeyFOJNBPYCHUJFPU-UHFFFAOYSA-N
XLogP0.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103002144
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
CID 106238366
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide?
The IUPAC name of N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide (CID 80689002) is N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide is CN(C)C(=O)CCCNCCc1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide?
The InChIKey is FOJNBPYCHUJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15(2)12(17)5-4-7-13-8-6-11-9-14-16(3)10-11/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide?
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide is sourced from PubChem (CID 80689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).