2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide

C11H20N4O — CID 43783563

IUPAC2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
SMILESCCC(Nc1cnn(CC(N)=O)c1)C(C)C
InChIInChI=1S/C11H20N4O/c1-4-10(8(2)3)14-9-5-13-15(6-9)7-11(12)16/h5-6,8,10,14H,4,7H2,1-3H3,(H2,12,16)
InChIKeyNJRPZIHFBVFWPO-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.21
Rot. Bonds6

About 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide

2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide (PubChem CID 43783563) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
PubChem CID43783563
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
SMILESCCC(Nc1cnn(CC(N)=O)c1)C(C)C
InChIInChI=1S/C11H20N4O/c1-4-10(8(2)3)14-9-5-13-15(6-9)7-11(12)16/h5-6,8,10,14H,4,7H2,1-3H3,(H2,12,16)
InChIKeyNJRPZIHFBVFWPO-UHFFFAOYSA-N
XLogP1.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
CID 43783565
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
CID 43695320
2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide
CID 107875956
5-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylpentanamide
CID 104683948
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
CID 65290605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide (CID 43783563) is 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide is CCC(Nc1cnn(CC(N)=O)c1)C(C)C.
What is the InChIKey of 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is NJRPZIHFBVFWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10(8(2)3)14-9-5-13-15(6-9)7-11(12)16/h5-6,8,10,14H,4,7H2,1-3H3,(H2,12,16).
What are the key properties of 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide?
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 224.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43783563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).