N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane

C13H25N3O — CID 171523553

IUPACN-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane
SMILESCC.CC.CC(=O)NCc1ccn(C2CC2)n1
InChIInChI=1S/C9H13N3O.2C2H6/c1-7(13)10-6-8-4-5-12(11-8)9-2-3-9;2*1-2/h4-5,9H,2-3,6H2,1H3,(H,10,13);2*1-2H3
InChIKeyHMKQRBOBRSTGGT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.91
Rot. Bonds3

About N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane

N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane (PubChem CID 171523553) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane
PubChem CID171523553
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane
SMILESCC.CC.CC(=O)NCc1ccn(C2CC2)n1
InChIInChI=1S/C9H13N3O.2C2H6/c1-7(13)10-6-8-4-5-12(11-8)9-2-3-9;2*1-2/h4-5,9H,2-3,6H2,1H3,(H,10,13);2*1-2H3
InChIKeyHMKQRBOBRSTGGT-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705188
4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007131
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
CID 124573040
(1R,2R,3S,4R)-3-[(1-cyclopentylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124777918
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane?
The IUPAC name of N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane (CID 171523553) is N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane.
What is the SMILES notation for N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane?
The canonical SMILES for N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane is CC.CC.CC(=O)NCc1ccn(C2CC2)n1.
What is the InChIKey of N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane?
The InChIKey is HMKQRBOBRSTGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2C2H6/c1-7(13)10-6-8-4-5-12(11-8)9-2-3-9;2*1-2/h4-5,9H,2-3,6H2,1H3,(H,10,13);2*1-2H3.
What are the key properties of N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane?
N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane has a molecular weight of 239.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane is sourced from PubChem (CID 171523553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).