2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide

C11H20N4O2 — CID 113354708

IUPAC2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)C(C)OC)cn1
InChIInChI=1S/C11H20N4O2/c1-8(9(2)17-4)14-10-5-13-15(6-10)7-11(16)12-3/h5-6,8-9,14H,7H2,1-4H3,(H,12,16)
InChIKeyQCOZFOKBUCVJHK-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.46
Rot. Bonds6

About 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide

2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 113354708) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID113354708
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)C(C)OC)cn1
InChIInChI=1S/C11H20N4O2/c1-8(9(2)17-4)14-10-5-13-15(6-10)7-11(16)12-3/h5-6,8-9,14H,7H2,1-4H3,(H,12,16)
InChIKeyQCOZFOKBUCVJHK-UHFFFAOYSA-N
XLogP0.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
CID 166214329
N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
CID 110017451
2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 63752931
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 61334554
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 126831054

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide (CID 113354708) is 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC(C)C(C)OC)cn1.
What is the InChIKey of 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is QCOZFOKBUCVJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(9(2)17-4)14-10-5-13-15(6-10)7-11(16)12-3/h5-6,8-9,14H,7H2,1-4H3,(H,12,16).
What are the key properties of 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 240.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 113354708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).