1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine

C16H22N4O2 — CID 71863975

IUPAC1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CCC(NCc3ccn[nH]3)C2)c1
InChIInChI=1S/C16H22N4O2/c1-21-15-7-14(8-16(9-15)22-2)20-6-4-13(11-20)17-10-12-3-5-18-19-12/h3,5,7-9,13,17H,4,6,10-11H2,1-2H3,(H,18,19)
InChIKeyWGFHSFMJISZWDT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.80
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine

1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine (PubChem CID 71863975) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
PubChem CID71863975
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CCC(NCc3ccn[nH]3)C2)c1
InChIInChI=1S/C16H22N4O2/c1-21-15-7-14(8-16(9-15)22-2)20-6-4-13(11-20)17-10-12-3-5-18-19-12/h3,5,7-9,13,17H,4,6,10-11H2,1-2H3,(H,18,19)
InChIKeyWGFHSFMJISZWDT-UHFFFAOYSA-N
XLogP1.80
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine (CID 71863975) is 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine is COc1cc(OC)cc(N2CCC(NCc3ccn[nH]3)C2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
The InChIKey is WGFHSFMJISZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-15-7-14(8-16(9-15)22-2)20-6-4-13(11-20)17-10-12-3-5-18-19-12/h3,5,7-9,13,17H,4,6,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine has a molecular weight of 302.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71863975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).