1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine

C17H23N3O — CID 122168086

IUPAC1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
SMILESCCOc1ccc(CNc2cnn(C3CCCC3)c2)cc1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-7-14(8-10-17)11-18-15-12-19-20(13-15)16-5-3-4-6-16/h7-10,12-13,16,18H,2-6,11H2,1H3
InChIKeyBUVCBASVDIOKKJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds6

About 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine

1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 122168086) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
PubChem CID122168086
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
SMILESCCOc1ccc(CNc2cnn(C3CCCC3)c2)cc1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-7-14(8-10-17)11-18-15-12-19-20(13-15)16-5-3-4-6-16/h7-10,12-13,16,18H,2-6,11H2,1H3
InChIKeyBUVCBASVDIOKKJ-UHFFFAOYSA-N
XLogP4.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine (CID 122168086) is 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine is CCOc1ccc(CNc2cnn(C3CCCC3)c2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is BUVCBASVDIOKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-21-17-9-7-14(8-10-17)11-18-15-12-19-20(13-15)16-5-3-4-6-16/h7-10,12-13,16,18H,2-6,11H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122168086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).