5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile

C14H15ClN4O — CID 100763866

IUPAC5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
SMILESCOCCn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N
InChIInChI=1S/C14H15ClN4O/c1-20-7-6-19-14(17)12(9-16)13(18-19)8-10-2-4-11(15)5-3-10/h2-5H,6-8,17H2,1H3
InChIKeyQABNNKONHNTGDD-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.23
Rot. Bonds5

About 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile

5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile (PubChem CID 100763866) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
PubChem CID100763866
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
SMILESCOCCn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N
InChIInChI=1S/C14H15ClN4O/c1-20-7-6-19-14(17)12(9-16)13(18-19)8-10-2-4-11(15)5-3-10/h2-5H,6-8,17H2,1H3
InChIKeyQABNNKONHNTGDD-UHFFFAOYSA-N
XLogP2.23
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-[(4-chlorophenyl)methyl]-1-propylpyrazole-4-carbonitrile
CID 100762129
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
5-amino-3-[(4-bromophenyl)methyl]-1-pentylpyrazole-4-carbonitrile
CID 100763466
5-amino-1-benzyl-3-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100764085
4-amino-5-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100767755
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764522
5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile
CID 100763823
5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766310
5-amino-1-butyl-3-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762457
5-amino-1-tert-butyl-3-[(3-chloro-4-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 71606262
5-amino-3-[(4-bromophenyl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764754
5-amino-1,3-bis[(3-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765635

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile (CID 100763866) is 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile is COCCn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The InChIKey is QABNNKONHNTGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-20-7-6-19-14(17)12(9-16)13(18-19)8-10-2-4-11(15)5-3-10/h2-5H,6-8,17H2,1H3.
What are the key properties of 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile has a molecular weight of 290.75 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100763866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).