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

C10H18N4O2 — CID 62534727

IUPAC2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)COC)cn1
InChIInChI=1S/C10H18N4O2/c1-8(7-16-3)13-9-4-12-14(5-9)6-10(15)11-2/h4-5,8,13H,6-7H2,1-3H3,(H,11,15)
InChIKeyNEEFXXLAISBMOP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.08
Rot. Bonds6

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

2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 62534727) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID62534727
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)COC)cn1
InChIInChI=1S/C10H18N4O2/c1-8(7-16-3)13-9-4-12-14(5-9)6-10(15)11-2/h4-5,8,13H,6-7H2,1-3H3,(H,11,15)
InChIKeyNEEFXXLAISBMOP-UHFFFAOYSA-N
XLogP0.08
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
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
N-cyclopropyl-2-[4-(1-ethoxypropan-2-ylamino)pyrazol-1-yl]acetamide
CID 115997520
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
CID 166214329
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide (CID 62534727) is 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC(C)COC)cn1.
What is the InChIKey of 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is NEEFXXLAISBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(7-16-3)13-9-4-12-14(5-9)6-10(15)11-2/h4-5,8,13H,6-7H2,1-3H3,(H,11,15).
What are the key properties of 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 226.28 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 62534727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).