1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine

C16H23N3O — CID 79007290

IUPAC1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
SMILESCCC(Cc1ccccc1)Nc1cnn(CCOC)c1
InChIInChI=1S/C16H23N3O/c1-3-15(11-14-7-5-4-6-8-14)18-16-12-17-19(13-16)9-10-20-2/h4-8,12-13,15,18H,3,9-11H2,1-2H3
InChIKeyCJNILQMQSVAKRY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds8

About 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine

1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine (PubChem CID 79007290) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
PubChem CID79007290
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
SMILESCCC(Cc1ccccc1)Nc1cnn(CCOC)c1
InChIInChI=1S/C16H23N3O/c1-3-15(11-14-7-5-4-6-8-14)18-16-12-17-19(13-16)9-10-20-2/h4-8,12-13,15,18H,3,9-11H2,1-2H3
InChIKeyCJNILQMQSVAKRY-UHFFFAOYSA-N
XLogP2.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
N-[1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728906
N-[1-(4-chlorophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729107
N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728920
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 133442537
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728872
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 115590262

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine (CID 79007290) is 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine is CCC(Cc1ccccc1)Nc1cnn(CCOC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine?
The InChIKey is CJNILQMQSVAKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-15(11-14-7-5-4-6-8-14)18-16-12-17-19(13-16)9-10-20-2/h4-8,12-13,15,18H,3,9-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine?
1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 79007290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).