5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile

C18H24N4O2 — CID 100763978

IUPAC5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
SMILESCOCCn1nc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N
InChIInChI=1S/C18H24N4O2/c1-12(2)14-6-5-13(3)15(9-14)11-24-18-16(10-19)17(20)22(21-18)7-8-23-4/h5-6,9,12H,7-8,11,20H2,1-4H3
InChIKeyDYZJBWURYMNUMK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.99
Rot. Bonds7

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

5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile (PubChem CID 100763978) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
PubChem CID100763978
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
SMILESCOCCn1nc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N
InChIInChI=1S/C18H24N4O2/c1-12(2)14-6-5-13(3)15(9-14)11-24-18-16(10-19)17(20)22(21-18)7-8-23-4/h5-6,9,12H,7-8,11,20H2,1-4H3
InChIKeyDYZJBWURYMNUMK-UHFFFAOYSA-N
XLogP2.99
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(2-fluorophenyl)methyl]-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764815
5-amino-3-[(2,5-dimethylphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766379
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764602
5-amino-3-[(3,4-dimethylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763144
5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile
CID 100763543
5-amino-1-[(3-fluorophenyl)methyl]-3-[(2-methylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764922
5-amino-3-[(4-methoxyphenyl)methoxy]-1-[(2-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765549
5-amino-3-[(3-methylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763103
5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile
CID 100763823
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
5-amino-1-butyl-3-[(3-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100762587
5-amino-1-ethyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100762021

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile (CID 100763978) is 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile is COCCn1nc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N.
What is the InChIKey of 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile?
The InChIKey is DYZJBWURYMNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)14-6-5-13(3)15(9-14)11-24-18-16(10-19)17(20)22(21-18)7-8-23-4/h5-6,9,12H,7-8,11,20H2,1-4H3.
What are the key properties of 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile?
5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile is sourced from PubChem (CID 100763978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).