N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide

C10H18N4O — CID 123420183

IUPACN,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide
SMILESCCC(C(=O)N(C)C)N(C)c1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-5-9(10(15)13(2)3)14(4)8-6-11-12-7-8/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyLINMWRLEMCFROW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.71
Rot. Bonds4

About N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide

N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide (PubChem CID 123420183) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide
PubChem CID123420183
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide
SMILESCCC(C(=O)N(C)C)N(C)c1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-5-9(10(15)13(2)3)14(4)8-6-11-12-7-8/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyLINMWRLEMCFROW-UHFFFAOYSA-N
XLogP0.71
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide?
The IUPAC name of N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide (CID 123420183) is N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide?
The canonical SMILES for N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide is CCC(C(=O)N(C)C)N(C)c1cn[nH]c1.
What is the InChIKey of N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide?
The InChIKey is LINMWRLEMCFROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-5-9(10(15)13(2)3)14(4)8-6-11-12-7-8/h6-7,9H,5H2,1-4H3,(H,11,12).
What are the key properties of N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide?
N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide is sourced from PubChem (CID 123420183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).