N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide

C12H21N3O2 — CID 111458807

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
SMILESCn1cc(C(C)(O)CNC(=O)C(C)(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-11(2,3)10(16)13-8-12(4,17)9-6-14-15(5)7-9/h6-7,17H,8H2,1-5H3,(H,13,16)
InChIKeyPNINJOMSSYKTQW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.79
Rot. Bonds3

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide (PubChem CID 111458807) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
PubChem CID111458807
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
SMILESCn1cc(C(C)(O)CNC(=O)C(C)(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-11(2,3)10(16)13-8-12(4,17)9-6-14-15(5)7-9/h6-7,17H,8H2,1-5H3,(H,13,16)
InChIKeyPNINJOMSSYKTQW-UHFFFAOYSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458903
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458347
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide (CID 111458807) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide is Cn1cc(C(C)(O)CNC(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide?
The InChIKey is PNINJOMSSYKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,3)10(16)13-8-12(4,17)9-6-14-15(5)7-9/h6-7,17H,8H2,1-5H3,(H,13,16).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111458807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).