2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone

C10H12ClN5O — CID 114670883

IUPAC2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)c2c(Cl)cnn2C)cn1
InChIInChI=1S/C10H12ClN5O/c1-15-5-6(3-13-15)8(12)10(17)9-7(11)4-14-16(9)2/h3-5,8H,12H2,1-2H3
InChIKeyNDLXOTHYUUSQIN-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone

2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 114670883) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID114670883
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)c2c(Cl)cnn2C)cn1
InChIInChI=1S/C10H12ClN5O/c1-15-5-6(3-13-15)8(12)10(17)9-7(11)4-14-16(9)2/h3-5,8H,12H2,1-2H3
InChIKeyNDLXOTHYUUSQIN-UHFFFAOYSA-N
XLogP0.69
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114668233
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114669074
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
CID 114692308
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
CID 103458258
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
1-amino-3-(5-chlorothiophen-2-yl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604948

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 114670883) is 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(N)C(=O)c2c(Cl)cnn2C)cn1.
What is the InChIKey of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is NDLXOTHYUUSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-15-5-6(3-13-15)8(12)10(17)9-7(11)4-14-16(9)2/h3-5,8H,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 253.69 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 114670883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).