5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile

C9H14N4O — CID 100762264

IUPAC5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCOCc1nn(C(C)C)c(N)c1C#N
InChIInChI=1S/C9H14N4O/c1-6(2)13-9(11)7(4-10)8(12-13)5-14-3/h6H,5,11H2,1-3H3
InChIKeyQAQRKOJTKIJNQB-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.06
Rot. Bonds3

About 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile

5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile (PubChem CID 100762264) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
PubChem CID100762264
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCOCc1nn(C(C)C)c(N)c1C#N
InChIInChI=1S/C9H14N4O/c1-6(2)13-9(11)7(4-10)8(12-13)5-14-3/h6H,5,11H2,1-3H3
InChIKeyQAQRKOJTKIJNQB-UHFFFAOYSA-N
XLogP1.06
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762285
5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762355
5-amino-1-[(2-fluorophenyl)methyl]-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 100764700
5-amino-3-benzyl-1-[(2S)-butan-2-yl]pyrazole-4-carbonitrile
CID 100762712
tert-butyl N-[2-[(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)amino]ethyl]carbamate
CID 102795954
5-chloro-3-(methoxymethyl)-1-propylpyrazole-4-carbonitrile
CID 63789513
5-amino-1-butan-2-yl-3-[(4-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 133190163
5-chloro-1-(4-cyanophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 63789495
[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol
CID 62318267
5-amino-3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 90075770
4-bromo-3-(methoxymethyl)-1-propan-2-ylpyrazole
CID 122170616
5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796158

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile (CID 100762264) is 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile is COCc1nn(C(C)C)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile?
The InChIKey is QAQRKOJTKIJNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)13-9(11)7(4-10)8(12-13)5-14-3/h6H,5,11H2,1-3H3.
What are the key properties of 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile?
5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile has a molecular weight of 194.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 100762264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).